Prof. dr. J. (Jos) Oomens

Faculty of Science

Van 't Hoff Institute for Molecular Sciences

Photographer: UvA Persvoorlichting, foto Jeroen Oerlemans

Visiting address

Science Park 904

Postal address

Postbus 94157
1090 GD Amsterdam

Contact details

j.oomens@uva.nl

Publications
2023

Finazzi, L., Martens, J., Berden, G., & Oomens, J. (in press). Probing radical versus proton migration in the aniline cation with IRMPD spectroscopy. Molecular Physics, Article e2192307. https://doi.org/10.1080/00268976.2023.2192307

Houthuijs, K. J., Berden, G., Engelke, U. F. H., Gautam, V., Wishart, D. S., Wevers, R. A., Martens, J., & Oomens, J. (2023). An In Silico Infrared Spectral Library of Molecular Ions for Metabolite Identification. Analytical Chemistry, 95(23), 8998-9005. https://doi.org/10.1021/acs.analchem.3c01078 [details]
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houthuijs-et-al-2023-an-in-silico-infrared-spectral-library-of-molecular-ions-for-metabolite-identification
Supplementary files
6675874

Houthuijs, K. J., Horn, M., Vughs, D., Martens, J., Brunner, A. M., Oomens, J., & Berden, G. (2023). Identification of organic micro-pollutants in surface water using MS-based infrared ion spectroscopy. Chemosphere, 341, Article 140046. https://doi.org/10.1016/j.chemosphere.2023.140046 [details]
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1-s2.0-S0045653523023160-main
Supplementary files
1-s2.0-S0045653523023160-mmc1

Jiang, Y., Bardaud, J. X., Ayadi, N., Lecouvey, M., Houée-Levin, C., Berden, G., Oomens, J., & Scuderi, D. (2023). Oxidation of designed model peptides containing methionine, proline and glutamic acid investigated by tandem mass spectrometry and IRMPD spectroscopy. International Journal of Mass Spectrometry, 487, Article 117029. https://doi.org/10.1016/j.ijms.2023.117029

Jiang, Y., Clavaguéra, C., Indrajith, S., Houée-Levin, C., Berden, G., Oomens, J., & Scuderi, D. (2023). OH Radical-Induced Oxidation in Nucleosides and Nucleotides Unraveled by Tandem Mass Spectrometry and Infrared Multiple Photon Dissociation Spectroscopy. ChemPhysChem, 24(23), Article e202300534. https://doi.org/10.1002/cphc.202300534 [details]
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OH Radical-Induced Oxidation in Nucleosides and Nucleotides Unraveled
Supplementary files
Supporting Information-OH Radical-Induced Oxidation in Nucleosides and Nucleotides Unraveled

Munshi, M. U., Berden, G., & Oomens, J. (2023). Infrared Ion Spectroscopic Characterization of the Gaseous [Co(15-crown-5)(H₂O)]²⁺ Complex. Journal of Physical Chemistry A, 127(34), 7256-7263. https://doi.org/10.1021/acs.jpca.3c04241 [details]
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munshi-et-al-2023-infrared-ion-spectroscopic-characterization-of-the-gaseous-co(15-crown-5)(h2o)-2-complex
Supplementary files
jp3c04241 si 001

Paul, M., Thomulka, T., Harnying, W., Neudörfl, J.-M., Adams, C. R., Martens, J., Berden, G., Oomens, J., Meijer, A. J. H. M., Berkessel, A., & Schäfer, M. (2023). Hydrogen Bonding Shuts Down Tunneling in Hydroxycarbenes: A Gas-Phase Study by Tandem-Mass Spectrometry, Infrared Ion Spectroscopy, and Theory. Journal of the American Chemical Society, 145(22), 12124-12135. https://doi.org/10.1021/jacs.3c01698 [details]
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Supplementary files
ja3c01698 si 001

Stevenson, B. C., Berden, G., Martens, J., Oomens, J., & Armentrout, P. B. (2023). Spectroscopic Investigation of the Metal Coordination of the Aromatic Amino Acids with Zinc and Cadmium. Journal of Physical Chemistry A, 127(16), 3560-3569. https://doi.org/10.1021/acs.jpca.2c08940

Su, J., Gong, Y., Batista, E. R., Lucena, A. F., Maria, L., Marçalo, J., Van Stipdonk, M. J., Berden, G., Martens, J., Oomens, J., Gibson, J. K., & Yang, P. (2023). Unusual Actinyl Complexes with a Redox-Active N,S-Donor Ligand. Inorganic Chemistry, 62(28), 11016-11027. https://doi.org/10.1021/acs.inorgchem.3c00990

Vink, M. J. A., Alarcan, J., Martens, J., Buma, W. J., Braeuning, A., Berden, G., & Oomens, J. (in press). Structural Elucidation of Agrochemical Metabolic Transformation Products Based on Infrared Ion Spectroscopy to Improve In Silico Toxicity Assessment. Chemical research in toxicology. https://doi.org/10.1021/acs.chemrestox.3c00316

Vink, M. J. A., Schermer, J. J., Martens, J., Buma, W. J., Berden, G., & Oomens, J. (2023). Characterization of Solar Radiation-Induced Degradation Products of the Plant Sunscreen Sinapoyl Malate. ACS Agricultural Science and Technology, 3(2), 171-180. https://doi.org/10.1021/acsagscitech.2c00279

van Outersterp, R. E., Kooijman, P. C., Merx, J., Engelke, U. F. H., Omidikia, N., Tonneijck, M.-LH., Houthuijs, K. J., Berden, G., Peters, T. M. A., Lefeber, D. J., Willemsen, M. A. A. P., Mecinovic, J., Jansen, J. J., Coene, K. L. M., Wevers, R. A., Boltje, T. J., Oomens, J., & Martens, J. (2023). Distinguishing Oligosaccharide Isomers Using Far-Infrared Ion Spectroscopy: Identification of Biomarkers for Inborn Errors of Metabolism. Analytical Chemistry, 95(26), 9787-9796. https://doi.org/10.1021/acs.analchem.3c00363 [details]
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van-outersterp-et-al-2023-distinguishing-oligosaccharide-isomers-using-far-infrared-ion-spectroscopy-identification-of
Supplementary files
ac3c00363 si 001

van Outersterp, R. E., Oosterhout, J., Gebhardt, C. R., Berden, G., Engelke, U. F. H., Wevers, R. A., Cuyckens, F., Oomens, J., & Martens, J. (2023). Targeted Small-Molecule Identification Using Heartcutting Liquid Chromatography-Infrared Ion Spectroscopy. Analytical Chemistry, 95(6), 3406-3413. https://doi.org/10.1021/acs.analchem.2c04904

2022

Armentrout, P. B., Stevenson, B. C., Ghiassee, M., Boles, G. C., Berden, G., & Oomens, J. (2022). Infrared multiple-photon dissociation spectroscopy of cationized glycine: effects of alkali metal cation size on gas-phase conformation. Physical Chemistry Chemical Physics, 24(37), 22950-22959. https://doi.org/10.1039/d2cp03469g [details]

He, C. C., Hamlow, L. A., Roy, H. A., Devereaux, Z. J., Hasan, M. A., Israel, E., Cunningham, N. A., Martens, J., Berden, G., Oomens, J., & Rodgers, M. T. (2022). Structural Determination of Lysine-Linked Cisplatin Complexes via IRMPD Action Spectroscopy: NN_sand NO^-Binding Modes of Lysine to Platinum Coexist. Journal of Physical Chemistry B, 126(45), 9246-9260. https://doi.org/10.1021/acs.jpcb.2c06234 [details]

Jiang, Y., Indrajith, S., Perez Mellor, A. F., Bürgi, T., Lecouvey, M., Clavaguéra, C., Bodo, E., Houée-Levin, C., Loire, E., Berden, G., Oomens, J., & Scuderi, D. (2022). Final Products of One-Electron Oxidation of Cyclic Dipeptides Containing Methionine Investigated by IRMPD Spectroscopy: Does the Free Radical Choose the Final Compound? Journal of Physical Chemistry B, 126(48), 10055-10068. https://doi.org/10.1021/acs.jpcb.2c06541 [details]

Palotás, J., Martens, J., Berden, G., & Oomens, J. (2022). Laboratory IR Spectra of the Ionic Oxidized Fullerenes C₆₀O⁺and C₆₀OH⁺. Journal of Physical Chemistry A, 126(19), 2928–2935. https://doi.org/10.1021/acs.jpca.2c01329 [details]
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Laboratory IR Spectra
Supplementary files
Supporting Information-Laboratory IR Spectra

2021

Armentrout, P. B., Boles, G. C., Ghiassee, M., Berden, G., & Oomens, J. (2021). Infrared Multiple-Photon Dissociation Spectra of Sodiated Complexes of the Aliphatic Amino Acids. Journal of Physical Chemistry A, 125(29), 6348-6355. https://doi.org/10.1021/acs.jpca.1c04708 [details]

Banhatti, S., Palotas, J., Jusko, P., Redlich, B., Oomens, J., Schlemmer, S., & Bruenken, S. (2021). Infrared action spectroscopy of doubly charged PAHs and their contribution to the aromatic infrared bands. Astronomy & Astrophysics, 648, Article A61. https://doi.org/10.1051/0004-6361/202039744 [details]
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Boles, G. C., Kempkes, L. J. M., Martens, J., Berden, G., Oomens, J., & Armentrout, P. B. (2021). Influence of a Hydroxyl Group on the Deamidation and Dehydration Reactions of Protonated Asparagine-Serine Investigated by Combined Spectroscopic, Guided Ion Beam, and Theoretical Approaches. Journal of the American Society for Mass Spectrometry, 32(3), 786-805. https://doi.org/10.1021/jasms.0c00468 [details]

Boles, G. C., Stevenson, B. C., Hightower, R. L., Berden, G., Oomens, J., & Armentrout, P. B. (2021). Zinc and cadmium complexation of L-methionine: An infrared multiple photon dissociation spectroscopy and theoretical study. Journal of Mass Spectrometry, 56(4), Article e4580. Advance online publication. https://doi.org/10.1002/jms.4580 [details]

Engelke, U. F. H., van Outersterp, R. E., Merx, J., van Geenen, F. A. M. G., van Rooij, A., Berden, G., Huigen, M. C. D. G., Kluijtmans, L. A. J., Peters, T. M. A., Al-Shekaili, H. H., Leavitt, B. R., Vrieze, E. D., Broekman, S., Wijk, E. V., Tseng, L. A., Kulkarni, P., Rutjes, F. P. J. T., Mecinovic, J., Struys, E. A., ... Coene, K. L. M. (2021). Untargeted metabolomics and infrared ion spectroscopy identify biomarkers for pyridoxine-dependent epilepsy. Journal of Clinical Investigation, 131(15). https://doi.org/10.1172/JCI148272

Hanozin, E., Mignolet, B., Martens, J., Berden, G., Sluysmans, D., Duwez, A.-S., Stoddart, J. F., Eppe, G., Oomens, J., De Pauw, E., & Morsa, D. (2021). Radical-Pairing Interactions in a Molecular Switch Evidenced by Ion Mobility Spectrometry and Infrared Ion Spectroscopy. Angewandte Chemie, International Edition, 60(18), 10049-10055. https://doi.org/10.1002/anie.202014728, https://doi.org/10.1002/ange.202014728

Hanozin, E., Mignolet, B., Martens, J., Berden, G., Sluysmans, D., Duwez, A.-S., Stoddart, J. F., Eppe, G., Oomens, J., De Pauw, E., & Morsa, D. (2021). Radical-Pairing Interactions in a Molecular Switch Evidenced by Ion Mobility Spectrometry and Infrared Ion Spectroscopy. Angewandte Chemie, 133(18), 10137-10143. https://doi.org/10.1002/ange.202014728, https://doi.org/10.1002/anie.202014728

McNary, C. P., Demireva, M., Martens, J., Berden, G., Oomens, J., Hamlow, L. A., Rodgers, M. T., & Armentrout, P. B. (2021). Infrared multiple photon dissociation action spectroscopy of protonated unsymmetrical dimethylhydrazine and proton-bound dimers of hydrazine and unsymmetrical dimethylhydrazine. Physical Chemistry Chemical Physics, 23(45), 25877-25885. https://doi.org/10.1039/d1cp03781a [details]

Palotas, J., Martens, J., Berden, G., & Oomens, J. (2021). Laboratory IR spectroscopy of protonated hexa-peri-hexabenzocoronene and dicoronylene. Journal of Molecular Spectroscopy, 378, Article 111474. https://doi.org/10.1016/j.jms.2021.111474 [details]
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Laboratory IR spectroscopy of protonated hexa-peri-hexabenzocoronene and dicoronylene
Supplementary files
Supplementary Information-Laboratory IR spectroscopy of protonated hexa-peri-hexabenzocoronene and dicoronylene

Palotas, J., Martens, J., Berden, G., & Oomens, J. (2021). The Infrared Spectrum of Protonated C-70. Astrophysical Journal Letters, 909(2). https://doi.org/10.3847/2041-8213/abe874

Paul, M., Peckelsen, K., Thomulka, T., Martens, J., Berden, G., Oomens, J., Neudörfl, J-M., Breugst, M., Meijer, A. J. H. M., Schäfer, M., & Berkessel, A. (2021). Breslow Intermediates (Amino Enols) and Their Keto Tautomers: First Gas-Phase Characterization by IR Ion Spectroscopy. Chemistry-A European Journal, 27(8), 2662-2669. Advance online publication. https://doi.org/10.1002/chem.202003454 [details]
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chem.202003454
Supplementary files
chem202003454-sup-0001-misc information
Related datasets
Thomulka, T., Berkessel, A., Oomens, J., Martens, J., Schäfer, M., Neudörfl, J.-M., Berden, G., Peckelsen, K., Paul, M., Meijer, A. J. H. M. & Breugst, M. (2020). CCDC 1588473: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1q9y21
Breugst, M., Berkessel, A., Martens, J., Berden, G., Neudörfl, J.-M., Thomulka, T., Oomens, J., Meijer, A. J. H. M., Schäfer, M., Paul, M. & Peckelsen, K. (2020). CCDC 2006542: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc25bz5p
Oomens, J., Breugst, M., Paul, M., Meijer, A. J. H. M., Berkessel, A., Schäfer, M., Peckelsen, K., Thomulka, T., Martens, J., Berden, G. & Neudörfl, J.-M. (2020). CCDC 1824033: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z71s1
Schäfer, M., Peckelsen, K., Neudörfl, J.-M., Breugst, M., Paul, M., Berkessel, A., Meijer, A. J. H. M., Berden, G., Oomens, J., Thomulka, T. & Martens, J. (2020). CCDC 1824032: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z71r0
Meijer, A. J. H. M., Berkessel, A., Neudörfl, J.-M., Schäfer, M., Berden, G., Breugst, M., Peckelsen, K., Martens, J., Thomulka, T., Oomens, J. & Paul, M. (2020). CCDC 1824031: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z71qz
Paul, M., Neudörfl, J.-M., Oomens, J., Berden, G., Breugst, M., Meijer, A. J. H. M., Peckelsen, K., Schäfer, M., Thomulka, T., Berkessel, A. & Martens, J. (2020). CCDC 2006541: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc25bz4n

Renault, E., Jian, J., Maurice, R., van Stipdonk, M., Tatosian, I., Bubas, A. R., Martens, J., Berden, G., Oomens, J., & Gibson, J. K. (2021). Characterization of Uranyl Coordinated by Equatorial Oxygen: Oxo in UO₃ versus Oxyl in UO₃⁺. Journal of Physical Chemistry A, 125(25), 5544-5555. https://doi.org/10.1021/acs.jpca.1c03818 [details]

Stevenson, B. C., Peckelsen, K., Martens, J., Berden, G., Oomens, J., Schäfer, M., & Armentrout, P. B. (2021). An investigation of inter-ligand coordination and flexibility: IRMPD spectroscopic and theoretical evaluation of calcium and nickel histidine dimers. Journal of Molecular Spectroscopy, 381, Article 111532. https://doi.org/10.1016/j.jms.2021.111532 [details]

Vo, L., Legaard, E., Thrasher, C., Jaffe, A., Berden, G., Martens, J., Oomens, J., & O'Brien, R. E. (2021). UV/Vis and IRMPD Spectroscopic Analysis of the Absorption Properties of Methylglyoxal Brown Carbon. ACS earth and space chemistry, 5(4), 910-919. https://doi.org/10.1021/acsearthspacechem.1c00022

Wiersma, S. D., Candian, A., Bakker, J. M., Berden, G., Eyler, J. R., Oomens, J., Tielens, A. G. G. M., & Petrignani, A. (2021). IR photofragmentation of the phenyl cation: spectroscopy and fragmentation pathways. Physical Chemistry Chemical Physics, 23(7), 4334-4343. https://doi.org/10.1039/d0cp05554a [details]
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IR photofragmentation of the phenyl cation
Supplementary files
d0cp05554a1
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van Geenen, F. A. M. G., Kranenburg, R. F., van Asten, A. C., Martens, J., Oomens, J., & Berden, G. (2021). Isomer-Specific Two-Color Double-Resonance IR²MS³ Ion Spectroscopy Using a Single Laser: Application in the Identification of Novel Psychoactive Substances. Analytical Chemistry, 93(4), 2687-2693. https://doi.org/10.1021/acs.analchem.0c05042 [details]
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Isomer-Specific Two-Color Double-Resonance
Supplementary files
Supporting information-Isomer-Specific Two-Color Double-Resonance

van Outersterp, R. E., Engelke, U. F. H., Merx, J., Berden, G., Paul, M., Thomulka, T., Berkessel, A., Huigen, M. C. D. G., Kluijtmans, L. A. J., Mecinovic, J., Rutjes, F. P. J. T., van Karnebeek, C. D. M., Wevers, R. A., Boltje, T. J., Coene, K. L. M., Martens, J., & Oomens, J. (2021). Metabolite Identification Using Infrared Ion Spectroscopy-Novel Biomarkers for Pyridoxine-Dependent Epilepsy. Analytical Chemistry, 93(46), 15340-15348. https://doi.org/10.1021/acs.analchem.1c02896 [details]
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Metabolite Identification Using Infrared Ion Spectroscopy
Supplementary files
Supporting information - Metabolite Identification Using Infrared Ion Spectroscopy

van Outersterp, R. E., Martens, J., Peremans, A., Lamard, L., Cuyckens, F., Oomens, J., & Berden, G. (2021). Evaluation of table-top lasers for routine infrared ion spectroscopy in the analytical laboratory. Analyst, 146(23), 7218-7229. https://doi.org/10.1039/d1an01406d [details]
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van Outersterp, R. E., Moons, S. J., Engelke, U. F. H., Bentlage, H., Peters, T. M. A., van Rooij, A., Huigen, M. C. D. G., de Boer, S., van der Heeft, E., Kluijtmans, L. A. J., van Karnebeek, C. D. M., Wevers, R. A., Berden, G., Oomens, J., Boltje, T. J., Coene, K. L. M., & Martens, J. (2021). Amadori rearrangement products as potential biomarkers for inborn errors of amino-acid metabolism. Communications biology, 4, Article 367. https://doi.org/10.1038/s42003-021-01909-5 [details]
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s42003-021-01909-5 (1)
Supplementary files
Supplementary files

2020

Houthuijs, K. J., Martens, J., Arranja, A. G., Berden, G., Nijsen, J. F. W., & Oomens, J. (2020). Characterization of holmium(iii)-acetylacetonate complexes derived from therapeutic microspheres by infrared ion spectroscopy. Physical Chemistry Chemical Physics, 22(27), 15716-15722. https://doi.org/10.1039/d0cp01890b [details]
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d0cp01890b
Supplementary files
d0cp01890b1

Kranenburg, R. F., van Geenen, F. A. M. G., Berden, G., Oomens, J., Martens, J., & van Asten, A. C. (2020). Mass-Spectrometry-Based Identification of Synthetic Drug Isomers Using Infrared Ion Spectroscopy. Analytical Chemistry, 92(10), 7282-7288. https://doi.org/10.1021/acs.analchem.0c00915 [details]
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acs.analchem.0c00915
Supplementary files
ac0c00915 si 001

Martens, J., van Outersterp, R. E., Vreeken, R. J., Cuyckens, F., Coene, K. L. M., Engelke, U. F., Kluijtmans, L. A. J., Wevers, R. A., Buydens, L. M. C., Redlich, B., Berden, G., & Oomens, J. (2020). Infrared ion spectroscopy: New opportunities for small-molecule identification in mass spectrometry - A tutorial perspective. Analytica Chimica Acta, 1093, 1-15. Advance online publication. https://doi.org/10.1016/j.aca.2019.10.043 [details]

Munshi, M. U., Martens, J., Berden, G., & Oomens, J. (2020). Vibrational Spectra of the Ruthenium-Tris-Bipyridine Dication and Its Reduced Form in Vacuo. Journal of Physical Chemistry A, 124(12), 2449-2459. https://doi.org/10.1021/acs.jpca.0c00888 [details]
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acs.jpca.0c00888
Supplementary files
jp0c00888 si 001

Oomens, J., Kempkes, L. J. M., Geurts, T. P. J., van Dijk, L., Martens, J., Berden, G., & Armentrout, P. B. (2020). Water Loss from Protonated XxxSer and XxxThr Dipeptides Gives Oxazoline-Not Oxazolone-Product Ions. Journal of the American Society for Mass Spectrometry, 31(10), 2111-2123. https://doi.org/10.1021/jasms.0c00239 [details]
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jasms.0c00239
Supplementary files
js0c00239 si 001

Palotás, J., Martens, J., Berden, G., & Oomens, J. (2020). The infrared spectrum of protonated buckminsterfullerene C₆₀H⁺. Nature Astronomy, 4(3), 240-245. https://doi.org/10.1038/s41550-019-0941-6 [details]

Stevenson, B. C., Martens, J., Berden, G., Oomens, J., Schäfer, M., & Armentrout, P. B. (2020). IRMPD Spectroscopic and Theoretical Structural Investigations of Zinc and Cadmium Dications Bound to Histidine Dimers. Journal of Physical Chemistry A, 124(49), 10266-10276. https://doi.org/10.1021/acs.jpca.0c08861 [details]

Wiersma, S. D., Candian, A., Bakker, J. M., Martens, J., Berden, G., Oomens, J., Buma, W. J., & Petrignani, A. (2020). Photolysis-induced scrambling of PAHs as a mechanism for deuterium storage. Astronomy & Astrophysics, 635, Article A9. Advance online publication. https://doi.org/10.1051/0004-6361/201936982 [details]
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2019

Boles, G. C., Hightower, R. L., Berden, G., Oomens, J., & Armentrout, P. B. (2019). Zinc and Cadmium Complexation of _L-Threonine: An Infrared Multiple Photon Dissociation Spectroscopy and Theoretical Study. Journal of Physical Chemistry B, 123(44), 9343-9354. https://doi.org/10.1021/acs.jpcb.9b08184 [details]

Boles, G. C., Kempkes, L. J. M., Martens, J., Berden, G., Oomens, J., & Armentrout, P. B. (2019). Ion spectroscopy and guided ion beam studies of protonated asparaginyl-threonine decomposition: Influence of a hydroxyl containing C-Terminal residue on deamidation processes. International Journal of Mass Spectrometry, 442, 64-82. https://doi.org/10.1016/j.ijms.2019.05.010 [details]

Kempkes, L. J. M., Martens, J., Berden, G., Houthuijs, K. J., & Oomens, J. (2019). Investigation of the position of the radical in z₃-ions resulting from electron transfer dissociation using infrared ion spectroscopy. Faraday Discussions, 217, 434-452. https://doi.org/10.1039/c8fd00202a [details]

Munshi, M. U., Martens, J., Berden, G., & Oomens, J. (2019). Gas-Phase Infrared Ion Spectroscopy Characterization of Cu(II/I)Cyclam and Cu(II/I)2,2′-Bipyridine Redox Pairs. The Journal of Physical Chemistry. A, 123(19), 4149-4157. https://doi.org/10.1021/acs.jpca.9b00793 [details]
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acs.jpca.9b00793
Supplementary files
acs.jpca

Munshi, M. U., Martens, J., Berden, G., & Oomens, J. (2019). Protoisomerization of Indigo and Isoindigo Dyes Confirmed by Gas-Phase Infrared Ion Spectroscopy. Journal of Physical Chemistry A, 123(38), 8226-8233. https://doi.org/10.1021/acs.jpca.9b06858 [details]
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Protoisomerization of Indigo and Isoindigo Dyes Confirmed
Supplementary files
jp9b06858 si 001

Oomens, J., Polfer, N. C., Berden, G., & Eyler, J. R. (2019). Gas-phase metal ion chelation investigated with IRMPD spectroscopy: A brief review of Robert Dunbar's contributions. European Journal of Mass Spectrometry, 25(1), 86-96. https://doi.org/10.1177/1469066718799175 [details]

Owen, C. J., Boles, G. C., Berden, G., Oomens, J., & Armentrout, P. B. (2019). Experimental and theoretical investigations of infrared multiple photon dissociation spectra of lysine complexes with Zn²⁺ and Cd²⁺. European Journal of Mass Spectrometry, 25(1), 97-111. https://doi.org/10.1177/1469066718792902 [details]

Paul, M., Peckelsen, K., Thomulka, T., Neudörfl, J., Martens, J., Berden, G., Oomens, J., Berkessel, A., Meijer, A. J. H. M., & Schäfer, M. (2019). Hydrogen tunneling avoided: enol-formation from a charge-tagged phenyl pyruvic acid derivative evidenced by tandem-MS, IR ion spectroscopy and theory. Physical Chemistry Chemical Physics, 21(30), 16591-16600. https://doi.org/10.1039/c9cp02316j [details]
Related datasets
Schäfer, M., Berden, G., Berkessel, A., Oomens, J., Meijer, A. J. H. M., Neudörfl, J., Paul, M., Peckelsen, K., Thomulka, T. & Martens, J. (2019). CCDC 1825830: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z8xrx
Meijer, A. J. H. M., Paul, M., Peckelsen, K., Berkessel, A., Oomens, J., Thomulka, T., Berden, G., Neudörfl, J., Martens, J. & Schäfer, M. (2019). CCDC 1911879: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc225gj8

Perez, E., Corcovilos, T. A., Gibson, J. K., Martens, J., Berden, G., Oomens, J., & Van Stipdonk, M. J. (2019). Isotope labeling and infrared multiple-photon photodissociation investigation of product ions generated by dissociation of [ZnNO₃(CH₃OH₂]⁺: Conversion of methanol to formaldehyde. European Journal of Mass Spectrometry, 25(1), 58-72. https://doi.org/10.1177/1469066718809881 [details]

Switzer, C., Martens, J., Kempkes, L. J. M., Berden, G., Oomens, J., & Hellman Morton, T. (2019). Gas-phase vibrations of the anionic, hydrogen-bonded dimer of 9-methylguanine. International Journal of Mass Spectrometry, 446, Article 116211. https://doi.org/10.1016/j.ijms.2019.116211 [details]

Tatosian, I., Metzler, L., Graca, C., Bubas, A., Corcovilos, T., Martens, J., Berden, G., Oomens, J., & Van Stipdonk, M. J. (2019). Measurement of the asymmetric UO₂²+ stretching frequency for [U^VIO₂(F)₃]- using IRMPD spectroscopy. International Journal of Mass Spectrometry, 446, Article 116231. https://doi.org/10.1016/j.ijms.2019.116231 [details]

Walhout, E. Q., Dorn, S. E., Martens, J., Berden, G., Oomens, J., Cheong, PH-Y., Kroll, J. H., & O'Brien, R. E. (2019). Infrared Ion Spectroscopy of Environmental Organic Mixtures: Probing the Composition of a-Pinene Secondary Organic Aerosol. Environmental Science and Technology, 53(13), 7604-7612. https://doi.org/10.1021/acs.est.9b02077 [details]

van Outersterp, R. E., Houthuijs, K. J., Berden, G., Engelke, U. F., Kluijtmans, L. A. J., Wevers, R. A., Coene, K. L. M., Oomens, J., & Martens, J. (2019). Reference-standard free metabolite identification using infrared ion spectroscopy. International Journal of Mass Spectrometry, 443, 77-85. https://doi.org/10.1016/j.ijms.2019.05.015 [details]

2018

Bendo, J-A., Martens, J., Berden, G., Oomens, J., & Morton, T. H. (2018). Gas phase vibrations of an anionic, hydrogen-bonded homodimer of a nucleobase analogue: Isocytosino-8-trifluoromethylquinolone. International Journal of Mass Spectrometry, 429, 206-211. https://doi.org/10.1016/j.ijms.2018.01.004 [details]

Boles, G. C., Hightower, R. L., Coates, R. A., McNary, C. P., Berden, G., Oomens, J., & Armentrout, P. B. (2018). Experimental and Theoretical Investigations of Infrared Multiple Photon Dissociation Spectra of Aspartic Acid Complexes with Zn²⁺ and Cd²⁺. Journal of Physical Chemistry B, 122(14), 3836-3853. https://doi.org/10.1021/acs.jpcb.8b00801 [details]

Bouwman, J., Horst, S., & Oomens, J. (2018). Spectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane. ChemPhysChem, 19(23), 3211-3218. https://doi.org/10.1002/cphc.201800846 [details]
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Chakrabarty, S., DiTucci, M. J., Berden, G., Oomens, J., & Williams, E. R. (2018). Structural Investigation of the Hormone Melatonin and Its Alkali and Alkaline Earth Metal Complexes in the Gas Phase. Journal of the American Society for Mass Spectrometry, 29(9), 1835-1847. https://doi.org/10.1007/s13361-018-2020-0 [details]

Chalifoux, A. M., Boles, G. C., Berden, G., Oomens, J., & Armentrout, P. B. (2018). Experimental and theoretical investigations of infrared multiple photon dissociation spectra of arginine complexes with Zn²⁺ and Cd²⁺. Physical Chemistry Chemical Physics, 20(31), 20712-20725. https://doi.org/10.1039/c8cp03484b [details]

Dunbar, R. C., Martens, J., Berden, G., & Oomens, J. (2018). Binding of Divalent Metal Ions with Deprotonated Peptides: Do Gas-Phase Anions Parallel the Condensed Phase? The Journal of Physical Chemistry. A, 122(25), 5589-5596. https://doi.org/10.1021/acs.jpca.8b02926 [details]
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Dunbar, R. C., Martens, J., Berden, G., & Oomens, J. (2018). Transition metal(II) complexes of histidine-containing tripeptides: Structures, and infrared spectroscopy by IRMPD. International Journal of Mass Spectrometry, 429, 198-205. https://doi.org/10.1016/j.ijms.2017.10.004 [details]

Featherstone, J., Chong, T., Martens, J. K., Oomens, J., & McMahon, T. B. (2018). Inverse Sandwich Cyclopentadienyl Complexes of Sodium in the Gas Phase. The Journal of Physical Chemistry. A, 122(43), 8659-8664. https://doi.org/10.1021/acs.jpca.8b09366 [details]

Gibson, J. K., de Jong, W. A., van Stipdonk, M. J., Martens, J., Berden, G., & Oomens, J. (2018). Equatorial coordination of uranyl: Correlating ligand charge donation with the O_yl-U-O_yl asymmetric stretch frequency. Journal of Organometallic Chemistry, 857, 94-100. https://doi.org/10.1016/j.jorganchem.2017.10.010 [details]

Heiles, S., Berden, G., Oomens, J., & Williams, E. R. (2018). Competition between salt bridge and non-zwitterionic structures in deprotonated amino acid dimers. Physical Chemistry Chemical Physics, 20(23), 15641-15652. Advance online publication. https://doi.org/10.1039/c8cp01458b [details]

Jian, J., Hu, S-X., Li, W-L., van Stipdonk, M. J., Martens, J., Berden, G., Oomens, J., Li, J., & Gibson, J. K. (2018). Uranyl/12-crown-4 Ether Complexes and Derivatives: Structural Characterization and Isomeric Differentiation. Inorganic Chemistry, 57(7), 4125-4134. https://doi.org/10.1021/acs.inorgchem.8b00306 [details]

Kempkes, L. J. M., Boles, G. C., Martens, J., Berden, G., Armentrout, P. B., & Oomens, J. (2018). Deamidation of Protonated Asparagine-Valine Investigated by a Combined Spectroscopic, Guided Ion Beam, and Theoretical Study. The Journal of Physical Chemistry. A, 122(9), 2424-2436. https://doi.org/10.1021/acs.jpca.7b12348 [details]
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Kempkes, L. J. M., Martens, J., Berden, G., & Oomens, J. (2018). w‐Type ions formed by electron transfer dissociation of Cys‐containing peptides investigated by infrared ion spectroscopy. Journal of Mass Spectrometry, 53(12), 1207-1213. Advance online publication. https://doi.org/10.1002/jms.4298 [details]
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Kempkes, L. J. M., Martens, J., Berden, G., & Oomens, J. (2018). Dehydration reactions of protonated dipeptides containing asparagine or glutamine investigated by infrared ion spectroscopy. International Journal of Mass Spectrometry, 429, 90-100. https://doi.org/10.1016/j.ijms.2017.06.004 [details]

Kempkes, L. J. M., Martens, J., Berden, G., & Oomens, J. (2018). Spectroscopic Characterization of an Extensive Set of c-Type Peptide Fragment Ions Formed by Electron Transfer Dissociation Suggests Exclusive Formation of Amide Isomers. Journal of Physical Chemistry Letters, 9(22), 6404-6411. https://doi.org/10.1021/acs.jpclett.8b02850 [details]
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Mackie, C. J., Candian, A., Huang, X., Maltseva, E., Petrignani, A., Oomens, J., Buma, W. J., Lee, T. J., & Tielens, A. G. G. M. (2018). The anharmonic quartic force field infrared spectra of hydrogenated and methylated PAHs. Physical Chemistry Chemical Physics, 20(2), 1189-1197. https://doi.org/10.1039/c7cp06546a [details]
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Maltseva, E., Mackie, C. J., Candian, A., Petrignani, A., Huang, X., Lee, T. J., Tielens, A. G. G. M., Oomens, J., & Buma, W. J. (2018). High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3 μm region: role of hydrogenation and alkylation. Astronomy & Astrophysics, 610, Article A65. https://doi.org/10.1051/0004-6361/201732102 [details]
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Martens, J., Berden, G., Bentlage, H., Coene, K. L. M., Engelke, U. F., Wishart, D., van Scherpenzeel, M., Kluijtmans, L. A. J., Wevers, R. A., & Oomens, J. (2018). Unraveling the unknown areas of the human metabolome: the role of infrared ion spectroscopy. Journal of inherited metabolic disease, 41(3), 367-377. https://doi.org/10.1007/s10545-018-0161-8 [details]
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Martin-Somer, A., Martens, J., Grzetic, J., Hase, W. L., Oomens, J., & Spezia, R. (2018). Unimolecular Fragmentation of Deprotonated Diproline [Pro₂-H]⁻ Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy. The Journal of Physical Chemistry. A, 122(10), 2612-2625. https://doi.org/10.1021/acs.jpca.7b11873 [details]

Smith, Z. M., Steinmetz, V., Martens, J., Oomens, J., & Poutsma, J. C. (2018). Infrared multiple photon dissociation spectroscopy of cationized canavanine: Side-chain substitution influences gas-phase zwitterion formation. International Journal of Mass Spectrometry, 429, 158-173. https://doi.org/10.1016/j.ijms.2017.08.009 [details]

van Outersterp, R. E., Martens, J., Berden, G., Steill, J. D., Oomens, J., & Rijs, A. M. (2018). Structural characterization of nucleotide 5′-triphosphates by infrared ion spectroscopy and theoretical studies. Physical Chemistry Chemical Physics, 20(44), 28319-28330. https://doi.org/10.1039/c8cp03314e [details]

2017

Abergel, R. J., de Jong, W. A., Deblonde, GJ-P., Dau, P. D., Captain, I., Eaton, T. M., Jian, J., van Stipdonk, M. J., Martens, J., Berden, G., Oomens, J., & Gibson, J. K. (2017). Cleaving Off Uranyl Oxygens through Chelation: A Mechanistic Study in the Gas Phase. Inorganic Chemistry, 56(21), 12930-12937. https://doi.org/10.1021/acs.inorgchem.7b01720 [details]

Akinyemi, T. E., Wu, R. R., Nei, Y-W., Cunningham, N. A., Roy, H. A., Steill, J. D., Berden, G., Oomens, J., & Rodgers, M. T. (2017). Influence of Transition Metal Cationization versus Sodium Cationization and Protonation on the Gas-Phase Tautomeric Conformations and Stability of Uracil: Application to [Ura+Cu]⁺ and [Ura+Ag]⁺. Journal of the American Society for Mass Spectrometry, 28(11), 2438-2453. https://doi.org/10.1007/s13361-017-1771-3 [details]

Bendo, J-A., Martens, J., Berden, G., Oomens, J., & Morton, T. H. (2017). Hydrogen Liberation from Gaseous 2-Bora-1,3-diazacycloalkanium Cations. The Journal of Physical Chemistry. A, 121(41), 7910-7916. https://doi.org/10.1021/acs.jpca.7b07990 [details]

Boles, G. C., Owen, C. J., Berden, G., Oomens, J., & Armentrout, P. B. (2017). Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn²⁺ and Cd²⁺. Physical Chemistry Chemical Physics, 19(19), 12394-12406. https://doi.org/10.1039/c7cp01786c [details]

Dunbar, R. C., Martens, J., Berden, G., & Oomens, J. (2017). Water Microsolvation Can Switch the Binding Mode of Ni(II) with Small Peptides. The Journal of Physical Chemistry Letters, 8(12), 2634-2638. https://doi.org/10.1021/acs.jpclett.7b00973 [details]

Martens, J., Berden, G., van Outersterp, R. E., Kluijtmans, L. A. J., Engelke, U. F., van Karnebeek, C. D. M., Wevers, R. A., & Oomens, J. (2017). Molecular identification in metabolomics using infrared ion spectroscopy. Scientific Reports, 7, Article 3363. https://doi.org/10.1038/s41598-017-03387-4 [details]
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Molecular
Molecular supplement

Martens, J., Koppen, V., Berden, G., Cuyckens, F., & Oomens, J. (2017). Combined Liquid Chromatography-Infrared Ion Spectroscopy for Identification of Regioisomeric Drug Metabolites. Analytical Chemistry, 89(8), 4359-4362. Advance online publication. https://doi.org/10.1021/acs.analchem.7b00577 [details]
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Munshi, M. U., Berden, G., Martens, J., & Oomens, J. (2017). Gas-phase vibrational spectroscopy of triphenylamine: the effect of charge on structure and spectra. Physical Chemistry Chemical Physics, 19(30), 19881-19889. https://doi.org/10.1039/c7cp02638b [details]

Munshi, M. U., Craig, S. M., Berden, G., Martens, J., DeBlase, A. F., Foreman, D. J., McLuckey, S. A., Oomens, J., & Johnson, M. A. (2017). Preparation of Labile Ni⁺(cyclam) Cations in the Gas Phase Using Electron-Transfer Reduction through Ion-Ion Recombination in an Ion Trap and Structural Characterization with Vibrational Spectroscopy. The Journal of Physical Chemistry Letters, 8(20), 5047-5052. https://doi.org/10.1021/acs.jpclett.7b02223 [details]
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Preparation
Preparation S

Oomens, J., Berden, G., & Morton, T. H. (2017). Low-Frequency CH Stretch Vibrations of Free Alkoxide Ions. Angewandte Chemie, International Edition, 56(1), 217-220. Advance online publication. https://doi.org/10.1002/anie.201609437, https://doi.org/10.1002/ange.201609437 [details]

Oomens, J., Berden, G., & Morton, T. H. (2017). Low-Frequency CH Stretch Vibrations of Free Alkoxide Ions. Angewandte Chemie, 129(1), 223-226. Advance online publication. https://doi.org/10.1002/ange.201609437, https://doi.org/10.1002/anie.201609437 [details]
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Peckelsen, K., Martens, J., Berden, G., Oomens, J., Dunbar, R. C., Meijer, A. J. H. M., & Schäfer, M. (2017). Gas-phase complexes of Ni²⁺ and Ca²⁺ with deprotonated histidylhistidine (HisHis): A model case for polyhistidyl-metal binding motifs. Journal of Molecular Spectroscopy, 332, 38-44. Advance online publication. https://doi.org/10.1016/j.jms.2016.10.008 [details]

Peckelsen, K., Martens, J., Czympiel, L., Oomens, J., Berden, G., Gründemann, D., Meijer, A. J. H. M., & Schäfer, M. (2017). Ergothioneine and related histidine derivatives in the gas phase: tautomer structures determined by IRMPD spectroscopy and theory. Physical Chemistry Chemical Physics, 19(34), 23362-23372. https://doi.org/10.1039/c7cp03843g [details]

Poutsma, J. C., Martens, J., Oomens, J., Maitre, P., Steinmetz, V., Bernier, M., Jia, M., & Wysocki, V. (2017). Infrared Multiple-Photon Dissociation Action Spectroscopy of the b₂ ⁺ Ion from PPG: Evidence of Third Residue Affecting b₂ ⁺ Fragment Structure. Journal of the American Society for Mass Spectrometry, 28(7), 1482-1488. https://doi.org/10.1007/s13361-017-1659-2 [details]

Schaefer, M., Peckelsen, K., Paul, M., Martens, J., Oomens, J., Berden, G., Berkessel, A., & Meijer, A. J. H. M. (2017). Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy. Journal of the American Chemical Society, 139(16), 5779-5786. https://doi.org/10.1021/jacs.6b10348 [details]
Related datasets
Oomens, J., Martens, J., Schäfer, M., Peckelsen, K., Berden, G., Meijer, A. J. H. M., Paul, M. & Berkessel, A. (2017). CCDC 1469242: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1l9vxn
Paul, M., Meijer, A. J. H. M., Berkessel, A., Martens, J., Oomens, J., Peckelsen, K., Berden, G. & Schäfer, M. (2017). CCDC 1469243: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1l9vyp

Schindler, B., Barnes, L., Gray, C. J., Chambert, S., Flitsch, S. L., Oomens, J., Daniel, R., Allouche, A. R., & Compagnon, I. (2017). IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates. The Journal of Physical Chemistry. A, 121(10), 2114-2120. https://doi.org/10.1021/acs.jpca.6b11642 [details]

Wu, R. R., Hamlow, L. A., He, C. C., Nei, Y., Berden, G., Oomens, J., & Rodgers, M. T. (2017). N3 and O2 Protonated Conformers of the Cytosine Mononucleotides Coexist in the Gas Phase. Journal of the American Society for Mass Spectrometry, 28(8), 1638-1646. https://doi.org/10.1007/s13361-017-1653-8 [details]

de Haas, A. J., Oomens, J., & Bouwman, J. (2017). Facile pentagon formation in the dissociation of polyaromatics. Physical Chemistry Chemical Physics, 19(4), 2974-2980. https://doi.org/10.1039/c6cp08349h [details]

de Jong, W. A., Dau, P. D., Wilson, R. E., Marçalo, J., Van Stipdonk, M. J., Corcovilos, T. A., Berden, G., Martens, J., Oomens, J., & Gibson, J. K. (2017). Revealing Disparate Chemistries of Protactinium and Uranium. Synthesis of the Molecular Uranium Tetroxide Anion, UO₄^-. Inorganic Chemistry, 56(6), 3686-3694. Advance online publication. https://doi.org/10.1021/acs.inorgchem.7b00144 [details]

2016

Bouwman, J., de Haas, A. J., & Oomens, J. (2016). Spectroscopic evidence for the formation of pentalene(+) in the dissociative ionization of naphthalene. Chemical Communications, 52(12), 2636-2638. https://doi.org/10.1039/c5cc10090a [details]
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Spectroscopic evidence for the formation of pentalene
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Dau, P. D., Rios, D., Gong, Y., Michelini, M. C., Marçalo, J., Shuh, D. K., Mogannam, M., Van Stipdonk, M. J., Corcovilos, T. A., Martens, J. K., Berden, G., Oomens, J., Redlich, B., & Gibson, J. K. (2016). Synthesis and Hydrolysis of Uranyl, Neptunyl, and Plutonyl Gas Phase Complexes Exhibiting Discrete Actinide-Carbon Bonds. Organometallics, 35(9), 1228-1240. https://doi.org/10.1021/acs.organomet.6b00079

Dunbar, R. C., Martens, J., Berden, G., & Oomens, J. (2016). Complexes of Ni(II) and Cu(II) with small peptides: deciding whether to deprotonate. Physical Chemistry Chemical Physics, 18(38), 26923-26932. https://doi.org/10.1039/c6cp03974j [details]

Gao, J., Berden, G., Rodgers, M. T., & Oomens, J. (2016). Interaction of Cu+ with cytosine and formation of i-motif-like C-M+-C complexes: alkali versus coinage metals. Physical Chemistry Chemical Physics, 18(10), 7269-7277. https://doi.org/10.1039/c6cp00234j [details]

Gao, J., Bouwman, J., Berden, G., & Oomens, J. (2016). The Influence of Metal Ion Binding on the IR Spectra of Nitrogen-Containing PAHs. The Journal of Physical Chemistry. A, 120(40), 7800-7809. https://doi.org/10.1021/acs.jpca.6b05060

Hu, S-X., Gibson, J. K., Li, W-L., Van Stipdonk, M. J., Martens, J., Berden, G., Redlich, B., Oomens, J., & Li, J. (2016). Electronic structure and characterization of a uranyl di-15-crown-5 complex with an unprecedented sandwich structure. Chemical Communications, 52(86), 12761-12764. https://doi.org/10.1039/c6cc07205d [details]

Kempkes, L. J. M., Martens, J. K., Grzetic, J., Berden, G., & Oomens, J. (2016). Deamidation reactions of protonated asparagine and glutamine investigated by ion spectroscopy. Rapid Communications in Mass Spectrometry, 30(4), 483-490. https://doi.org/10.1002/rcm.7464 [details]

Kempkes, L. J. M., Martens, J., Grzetic, J., Berden, G., & Oomens, J. (2016). Deamidation Reactions of Asparagine- and Glutamine-Containing Dipeptides Investigated by Ion Spectroscopy. Journal of the American Society for Mass Spectrometry, 27(11), 1855-1869. https://doi.org/10.1007/s13361-016-1462-5 [details]
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Deamidation
Deamidation supplement

Kiawi, D. M., Chernyy, V., Oomens, J., Buma, W. J., Jamshidi, Z., Visscher, L., Waters, L. B. F. M., & Bakker, J. M. (2016). Water Dissociation upon Adsorption onto Free Iron Clusters Is Size Dependent. The Journal of Physical Chemistry Letters, 7(13), 2381-2387. https://doi.org/10.1021/acs.jpclett.6b00891

Lesslie, M., Lau, JK-C., Lawler, J. T., Siu, K. W. M., Oomens, J., Berden, G., Hopkinson, A. C., & Ryzhov, V. (2016). Alkali-Metal-Ion-Assisted Hydrogen Atom Transfer in the Homocysteine Radical. Chemistry-A European Journal, 22(7), 2243-2246. https://doi.org/10.1002/chem.201504631 [details]

Mackie, C. J., Candian, A., Huang, X., Maltseva, E., Petrignani-Taube, A., Oomens, J., Mattioda, A. L., Buma, W. J., Lee, T. J., & Tielens, A. G. G. M. (2016). The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene. Journal of Chemical Physics, 145(8). https://doi.org/10.1063/1.4961438

Maltseva, E., Petrignani-Taube, A., Candian, A., Mackie, C. J., Huang, X., Lee, T. J., Tielens, A. G. G. M., Oomens, J., & Buma, W. J. (2016). Erratum: HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY (vol 814, 23, 2015). Astrophysical Journal, 820(1). https://doi.org/10.3847/0004-637X/820/1/81

Maltseva, E., Petrignani-Taube, A., Candian, A., Mackie, C. J., Huang, X., Lee, T. J., Tielens, A. G. G. M., Oomens, J., & Buma, W. J. (2016). HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS IN THE 3 mu m REGION: ROLE OF PERIPHERY. Astrophysical Journal, 831(1). https://doi.org/10.3847/0004-637X/831/1/58

Martens, J., Berden, G., & Oomens, J. (2016). Structures of Fluoranthene Reagent Anions Used in Electron Transfer Dissociation and Proton Transfer Reaction Tandem Mass Spectrometry. Analytical Chemistry, 88(12), 6126-6129. https://doi.org/10.1021/acs.analchem.6b01483

Martens, J., Berden, G., Gebhardt, C. R., & Oomens, J. (2016). Infrared ion spectroscopy in a modified quadrupole ion trap mass spectrometer at the FELIX free electron laser laboratory. Review of Scientific Instruments, 87(10). https://doi.org/10.1063/1.4964703

Martens, J., Grzetic, J., Berden, G., & Oomens, J. (2016). Structural identification of electron transfer dissociation products in mass spectrometry using infrared ion spectroscopy. Nature Communications, 7, Article 11754. https://doi.org/10.1038/ncomms11754
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Nieto, P., Guenther, A., Berden, G., Oomens, J., & Dopfer, O. (2016). IRMPD Spectroscopy of Metalated Flavins: Structure and Bonding of Lumiflavin Complexes with Alkali and Coinage Metal Ions. The Journal of Physical Chemistry. A, 120(42), 8297-8308. https://doi.org/10.1021/acs.jpca.6b08281

Petrignani, A., Vala, M., Eyler, J. R., Tielens, A. G. G. M., Berden, G., van der Meer, A. F. G., Redlich, B., & Oomens, J. (2016). Breakdown Products of Gaseous Polycyclic Aromatic Hydrocarbons Investigated with Infrared Ion Spectroscopy. Astrophysical Journal, 826(1), Article 33. https://doi.org/10.3847/0004-637X/826/1/33 [details]
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Shaffer, C. J., Martens, J., Marek, A., Oomens, J., & Turecek, F. (2016). Photoleucine Survives Backbone Cleavage by Electron Transfer Dissociation. A Near-UV Photodissociation and Infrared Multiphoton Dissociation Action Spectroscopy Study. Journal of the American Society for Mass Spectrometry, 27(7), 1176-1185. https://doi.org/10.1007/s13361-016-1390-4

Wu, R. R., He, C. C., Hamlow, L. A., Nei, Y. ., Berden, G., Oomens, J., & Rodgers, M. T. (2016). Protonation induces base rotation of purine nucleotides pdGuo and pGuo. Physical Chemistry Chemical Physics, 18(22), 15081-15090. https://doi.org/10.1039/c6cp01354f

Wu, R. R., He, C. C., Hamlow, L. A., Nei, Y. .-W., Berden, G., Oomens, J., & Rodgers, M. T. (2016). N3 Protonation Induces Base Rotation of 2 '-Deoxyadenosine-5 '-monophosphate and Adenosine-5 '-monophosphate. The journal of Physical Chemistry. B, 120(20), 4616-4624. https://doi.org/10.1021/acs.jpcb.6b04052

Wu, R. R., Yang, B., Frieler, C. E., Berden, G., Oomens, J., & Rodgers, M. T. (2016). 2,4-Dihydroxy and O2 Protonated Tautomers of dThd and Thd Coexist in the Gas Phase: Methylation Alters Protonation Preferences versus dUrd and Urd. Journal of the American Society for Mass Spectrometry, 27(3), 410-421. https://doi.org/10.1007/s13361-015-1303-y [details]

Álvaro Galué, H., Oomens, J., Buma, W. J., & Redlich, B. (2016). Electron-flux infrared response to varying π-bond topology in charged aromatic monomers. Nature Communications, 7, Article 12633. https://doi.org/10.1038/ncomms12633 [details]
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ncomms12633
ncomms11206-s1
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2015

Barnes, L., Schindler, B., Allouche, A. R., Simon, D., Chambert, S., Oomens, J., & Compagnon, I. (2015). Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate. Physical Chemistry Chemical Physics, 17(39), 25705-25713. https://doi.org/10.1039/c5cp02079d [details]
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Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate
Supplementary files
Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate - Supplementary information

Boles, G. C., Coates, R. A., Berden, G., Oomens, J., & Armentrout, P. B. (2015). Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamine complexes with Zn2+ and Cd2+. The journal of Physical Chemistry. B, 119(35), 11607-11617. https://doi.org/10.1021/acs.jpcb.5b06528 [details]

Bouwman, J., Bodi, A., Oomens, J., & Hemberger, P. (2015). On the formation of cyclopentadiene in the C3H5˙ + C2H2 reaction. Physical Chemistry Chemical Physics, 17(32), 20508-20514. https://doi.org/10.1039/c5cp02243f [details]
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On the formation of cyclopentadiene in the C3H5˙ + C2H2 reaction
On the formation of cyclopentadiene in the C3H5˙ + C2H2 reaction - Supplementary information

Bouwman, J., Sztáray, B., Oomens, J., Hemberger, P., & Bodi, A. (2015). Dissociative photoionization of quinoline and isoquinoline. The Journal of Physical Chemistry. A, 119(7), 1127-1136. https://doi.org/10.1021/jp5121993 [details]

Chang, T. M., Berden, G., Oomens, J., & Williams, E. R. (2015). Halide anion binding to Gly3, Ala3 and Leu3. International Journal of Mass Spectrometry, 377, 440-447. https://doi.org/10.1016/j.ijms.2014.02.019 [details]

Coates, R. A., McNary, C. P., Boles, G. C., Berden, G., Oomens, J., & Armentrout, P. B. (2015). Structural characterization of gas-phase cysteine and cysteine methyl ester complexes with zinc and cadmium dications by infrared multiple photon dissociation spectroscopy. Physical Chemistry Chemical Physics, 17(39), 25799-25808. https://doi.org/10.1039/c5cp01500f [details]
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Dunbar, R. C., Berden, G., Martens, J. K., & Oomens, J. (2015). Divalent metal-ion complexes with dipeptide ligands having Phe and His side-chain anchors: effects of sequence, metal ion, and anchor. The Journal of Physical Chemistry. A, 119(38), 9901-9909. https://doi.org/10.1021/acs.jpca.5b06315 [details]

Gibson, J. K., Hu, H. S., Van Stipdonk, M. J., Berden, G., Oomens, J., & Li, J. (2015). Infrared Multiphoton Dissociation Spectroscopy of a Gas-Phase Complex of Uranyl and 3-Oxa-Glutaramide: An Extreme Red-Shift of the [O=U=O](2+) Asymmetric Stretch. The Journal of Physical Chemistry. A, 119(14), 3366-3374. https://doi.org/10.1021/jp512599e [details]

He, C. C., Kimutai, B., Bao, X., Hamlow, L., Zhu, Y., Strobehn, S. F., Gao, J., Berden, G., Oomens, J., Chow, C. S., & Rodgers, M. T. (2015). Evaluation of hybrid theoretical approaches for structural determination of a glycine-linked cisplatin derivative via infrared multiple photon dissociation (IRMPD) action spectroscopy. The Journal of Physical Chemistry. A, 119(44), 10980-10987. https://doi.org/10.1021/acs.jpca.5b08181 [details]

Heiles, S., Cooper, R. J., Berden, G., Oomens, J., & Williams, E. R. (2015). Hydrogen bond mediated stabilization of the salt bridge structure for the glycine dimer anion. Physical Chemistry Chemical Physics, 17(45), 30642-30647. https://doi.org/10.1039/c5cp06120b [details]
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Hydrogen bond mediated stabilization of the salt bridge structure for the glycine dimer anion
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Hydrogen bond mediated stabilization of the salt bridge structure for the glycine dimer anion - Supplementary information

Kaczan, C. M., Rathur, A. I., Wu, R. R., Chen, Y., Austin, C. A., Berden, G., Oomens, J., & Rodgers, M. T. (2015). Infrared multiple photon dissociation action spectroscopy of sodium cationized halouracils: Effects of sodium cationization and halogenation on gas-phase conformation. International Journal of Mass Spectrometry, 378, 76-85. https://doi.org/10.1016/j.ijms.2014.07.016 [details]

Kiawi, D. M., Bakker, J. M., Oomens, J., Buma, W. J., Jamshidi, Z., Visscher, L., & Waters, L. B. F. M. (2015). Water adsorption on free cobalt cluster cations. The Journal of Physical Chemistry. A, 119(44), 10828-10837. https://doi.org/10.1021/acs.jpca.5b07119 [details]
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Ligare, M. R., Rijs, A. M., Berden, G., Kabeláč, M., Nachtigallova, D., Oomens, J., & de Vries, M. S. (2015). Resonant Infrared Multiple Photon Dissociation Spectroscopy of Anionic Nucleotide Monophosphate Clusters. The journal of Physical Chemistry. B, 119(25), 7894-7901. https://doi.org/10.1021/acs.jpcb.5b02222 [details]

Mackie, C. J., Candian, A., Huang, X., Maltseva, E., Petrignani, A., Oomens, J., Buma, W. J., Lee, T., & Tielens, A. G. G. M. (2015). The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: naphthalene, anthracene, and tetracene. Journal of Chemical Physics, 143, Article 224314. https://doi.org/10.1063/1.4936779 [details]
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502004
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anthracene linelist
tetracene polyads
anthracene polyads
naphthalene polyads
tetracene linelist
naphthalene linelist

Maltseva, E., Petrignani, A., Candian, A., Mackie, C. J., Huang, X., Lee, T. J., Tielens, A. G. G. M., Oomens, J., & Buma, W. J. (2015). High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons: the realm of anharmonicity. Astrophysical Journal, 814(1), Article 23. https://doi.org/10.1088/0004-637X/814/1/23 [details]
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502005
Supplementary files
502005 Erratum

Martens, J. K., Grzetic, J., Berden, G., & Oomens, J. (2015). Gas-phase conformations of small polyprolines and their fragment ions by IRMPD spectroscopy. International Journal of Mass Spectrometry, 377, 179-187. https://doi.org/10.1016/j.ijms.2014.07.027 [details]

Oomens, J., Berden, G., & Morton, T. H. (2015). Negative Hyperconjugation versus Electronegativity: Vibrational Spectra of Free Fluorinated Alkoxide Ions in the Gas Phase. ChemPhysChem, 16(9), 1992-1995. https://doi.org/10.1002/cphc.201500177 [details]

Oomens, J., Pirali, O., & Tielens, A. G. G. M. (2015). Laboratory IR spectroscopy of PAHs. In S. Schlemmer, T. Giesen, H. Mutschke, & C. Jäger (Eds.), Laboratory astrochemistry: from molecules through nanoparticles to grains (pp. 49-68). Wiley-VCH. [details]

Patrick, A. L., Stedwell, C. N., Schindler, B., Compagnon, I., Berden, G., Oomens, J., & Polfer, N. C. (2015). Insights into the fragmentation pathways of gas-phase protonated sulfoserine. International Journal of Mass Spectrometry, 379, 26-32. https://doi.org/10.1016/j.ijms.2014.12.001 [details]

Pearson, W. L., Contreras, C., Powell, D., Berden, G., Oomens, J., Bendiak, B., & Eyler, J. R. (2015). Differentiation of rubidiated methyl-D-glycoside stereoisomers by infrared multiple-photon dissociation spectroscopy in the O-H and C-H stretching regions. The journal of Physical Chemistry. B, 119(41), 12970-12981. https://doi.org/10.1021/acs.jpcb.5b06563 [details]

Rijs, A. M., & Oomens, J. (2015). IR spectroscopic techniques to study isolated biomolecules. In A. M. Rijs, & J. Oomens (Eds.), Gas-phase IR spectroscopy and structure of biological molecules (pp. 1-42). (Topics in current chemistry; No. 364). Springer. https://doi.org/10.1007/128_2014_621 [details]

Spezia, R., Martens, J., Oomens, J., & Song, K. (2015). Collision-induced dissociation pathways of protonated Gly(2)NH(2) and Gly(3)NH(2) in the short time-scale limit by chemical dynamics and ion spectroscopy. International Journal of Mass Spectrometry, 388, 40-52. https://doi.org/10.1016/j.ijms.2015.07.025 [details]

Ung, H. U., Huynh, K. T., Poutsma, J. C., Oomens, J., Berden, G., & Morton, T. H. (2015). Investigation of proton affinities and gas phase vibrational spectra of protonated nucleosides, deoxynucleosides, and their analogs. International Journal of Mass Spectrometry, 378, 294-302. https://doi.org/10.1016/j.ijms.2014.09.017 [details]

Wu, R. R., Yang, B., Berden, G., Oomens, J., & Rodgers, M. T. (2015). Gas-Phase Conformations and Energetics of Protonated 2 '-Deoxyadenosine and Adenosine: IRMPD Action Spectroscopy and Theoretical Studies. The journal of Physical Chemistry. B, 119(7), 2795-2805. https://doi.org/10.1021/jp509267k [details]

Wu, R. R., Yang, B., Frieler, C. E., Berden, G., Oomens, J., & Rodgers, M. T. (2015). Diverse mixtures of 2,4-dihydroxy tautomers and O4 protonated conformers of uridine and 2 '-deoxyuridine coexist in the gas phaset. Physical Chemistry Chemical Physics, 17(39), 25978-25988. https://doi.org/10.1039/c5cp02227d [details]

Wu, R. R., Yang, B., Frieler, C. E., Berden, G., Oomens, J., & Rodgers, M. T. (2015). N3 and O2 Protonated Tautomeric Conformations of 2 '-Deoxycytidine and Cytidine Coexist in the Gas Phase. The journal of Physical Chemistry. B, 119(18), 5773-5784. https://doi.org/10.1021/jp5130316 [details]

van Stipdonk, M. J., Patterson, K., Gibson, J. K., Berden, G., & Oomens, J. (2015). IRMPD spectroscopy reveals a novel rearrangement reaction for modified peptides that involves elimination of the N-terminal amino acid. International Journal of Mass Spectrometry, 379, 165-178. https://doi.org/10.1016/j.ijms.2015.01.010 [details]

2014

Gao, J., Berden, G., & Oomens, J. (2014). Laboratory Infrared Spectroscopy of Gaseous Negatively Charged Polyaromatic Hydrocarbons. Astrophysical Journal, 787(2). https://doi.org/10.1088/0004-637X/787/2/170 [details]
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Günther, A., Nieto, P., Berden, G., Oomens, J., & Dopfer, O. (2014). IRMPD spectroscopy of metalated flavins: structure and bonding of Mq+-lumichrome complexes (Mq+ = Li+-Cs+, Ag+, Mg2+). Physical Chemistry Chemical Physics, 16(27), 14161-14171. https://doi.org/10.1039/c4cp01524j [details]
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IRMPD spectroscopy of metalated flavins
Supplementary files
IRMPD spectroscopy of metalated flavins suppl

Holland, M. C., Berden, G., Oomens, J., Meijer, A. J. H. M., Schäfer, M., & Gilmour, R. (2014). Infrared Multiphoton Dissociation Spectroscopic Analysis of Noncovalent Interactions in Organocatalysis. European Journal of Organic Chemistry, 2014(26), 5675-5680. https://doi.org/10.1002/ejoc.201402845 [details]

Langer, J., Günther, A., Seidenbecher, S., Berden, G., Oomens, J., & Dopfer, O. (2014). Probing Protonation Sites of Isolated Flavins Using IR Spectroscopy: From Lumichrome to the Cofactor Flavin Mononucleotide. ChemPhysChem, 15(12), 2550-2562. https://doi.org/10.1002/cphc.201402146 [details]

Morsa, D., Gabelica, V., Rosu, F., Oomens, J., & De Pauw, E. (2014). Dissociation Pathways of Benzylpyridinium "Thermometer" Ions Depend on the Activation Regime: An IRMPD Spectroscopy Study. The Journal of Physical Chemistry Letters, 5(21), 3787-3791. https://doi.org/10.1021/jz501903b [details]

Steill, J. D., May, A. L., Campagna, S. R., Oomens, J., & Compton, R. N. (2014). Structure and Stability of Phenoxide and Fluorophenoxide Anions Investigated with Infrared Multiple-Photon Dissociation and Detachment Spectroscopy and Tandem Mass Spectrometry. The Journal of Physical Chemistry. A, 118(37), 8597-8605. https://doi.org/10.1021/jp503103a [details]

van Stipdonk, M. J., Basu, P., Dille, S. A., Gibson, J. K., Berden, G., & Oomens, J. (2014). Infrared Multiple Photon Dissociation Spectroscopy of a Gas-Phase Oxo-Molybdenum Complex with 1,2-Dithiolene Ligands. The Journal of Physical Chemistry. A, 118(29), 5407-5418. https://doi.org/10.1021/jp503222v [details]

van Stipdonk, M. J., Kullman, M. J., Berden, G., & Oomens, J. (2014). Infrared multiple-photon dissociation spectroscopy of deprotonated 6-hydroxynicotinic acid. Rapid Communications in Mass Spectrometry, 28(7), 691-698. https://doi.org/10.1002/rcm.6829 [details]

2013

Austin, C. A., Chen, Y., Kaczan, C. M., Berden, G., Oomens, J., & Rodgers, M. T. (2013). Infrared multiple photon dissociation action spectroscopy of alkali metal cation-cyclen complexes: Effects of alkali metal cation size on gas-phase conformation. International Journal of Mass Spectrometry, 354-355, 346-355. https://doi.org/10.1016/j.ijms.2013.08.004 [details]

Dain, R. P., Gresham, G., Groenewold, G. S., Steill, J. D., Oomens, J., & Van Stipdonk, M. J. (2013). Infrared multiple photon dissociation spectroscopy of group I and group II metal complexes with Boc-hydroxylamine. Rapid Communications in Mass Spectrometry, 27(16), 1867-1872. https://doi.org/10.1002/rcm.6640 [details]

Demireva, M., Oomens, J., Berden, G., & Williams, E. R. (2013). The Ionic Hydrogen/Deuterium Bonds between Diammoniumalkane Dications and Halide Anions. ChemPlusChem, 78(9), 995-1004. https://doi.org/10.1002/cplu.201300084 [details]

Dunbar, R. C., Berden, G., & Oomens, J. (2013). How does a small peptide choose how to bind a metal ion? IRMPD and computational survey of CS versus Iminol binding preferences. International Journal of Mass Spectrometry, 354-355, 356-364. https://doi.org/10.1016/j.ijms.2013.07.017 [details]

Dunbar, R. C., Oomens, J., Berden, G., Lau, J. K. C., Verkerk, U. H., Hopkinson, A. C., & Siu, K. W. M. (2013). Metal Ion Complexes with HisGly: Comparison with PhePhe and PheGly. The Journal of Physical Chemistry. A, 117(25), 5335-5343. https://doi.org/10.1021/jp4021917 [details]

Dunbar, R. C., Steill, J. D., Polfer, N. C., & Oomens, J. (2013). Metal Cation Binding to Gas-Phase Pentaalanine: Divalent Ions Restructure the Complex. The Journal of Physical Chemistry. A, 117(6), 1094-1101. https://doi.org/10.1021/jp304256f [details]

Grzetic, J., & Oomens, J. (2013). Effect of the Asn side chain on the dissociation of deprotonated peptides elucidated by IRMPD spectroscopy. International Journal of Mass Spectrometry, 354-355, 70-77. https://doi.org/10.1016/j.ijms.2013.05.005 [details]

Grzetic, J., & Oomens, J. (2013). Spectroscopic Identification of Cyclic Imide b2-Ions from Peptides Containing Gln and Asn Residues. Journal of the American Society for Mass Spectrometry, 24(8), 1228-1241. https://doi.org/10.1007/s13361-013-0661-6 [details]

Gámez, F., Hurtado, P., Hortal, A. R., Martínez-Haya, B., Berden, G., & Oomens, J. (2013). Cations in a Molecular Funnel: Vibrational Spectroscopy of Isolated Cyclodextrin Complexes with Alkali Metals. ChemPhysChem, 14(2), 400-407. https://doi.org/10.1002/cphc.201200810 [details]

Jaeqx, S., Du, W., Meijer, E. J., Oomens, J., & Rijs, A. M. (2013). Conformational Study of Z-Glu-OH and Z-Arg-OH: Dispersion Interactions versus Conventional Hydrogen Bonding. The Journal of Physical Chemistry. A, 117(6), 1216-1227. https://doi.org/10.1021/jp3053339 [details]

Jaeqx, S., Oomens, J., & Rijs, A. M. (2013). Gas-phase salt bridge interactions between glutamic acid and arginine. Physical Chemistry Chemical Physics, 15(38), 16341-16352. https://doi.org/10.1039/c3cp52508b [details]
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Lapoutre, V. J. F., Redlich, B., Meer, A. F. G., Oomens, J., Bakker, J. M., Sweeney, A., Mookherjee, A., & Armentrout, P. B. (2013). Structures of the Dehydrogenation Products of Methane Activation by 5d Transition Metal Cations. The Journal of Physical Chemistry. A, 117(20), 4115-4126. https://doi.org/10.1021/jp400305k [details]

Nei, Y. W., Crampton, K. T., Berden, G., Oomens, J., & Rodgers, M. T. (2013). Infrared Multiple Photon Dissociation Action Spectroscopy of Deprotonated RNA Mononucleotides: Gas-Phase Conformations and Energetics. The Journal of Physical Chemistry. A, 117(41), 10634-10649. https://doi.org/10.1021/jp4039495 [details]

Nei, Y. W., Hallowita, N., Steill, J. D., Oomens, J., & Rodgers, M. T. (2013). Infrared Multiple Photon Dissociation Action Spectroscopy of Deprotonated DNA Mononucleotides: Gas-Phase Conformations and Energetics. The Journal of Physical Chemistry. A, 117(6), 1319-1335. https://doi.org/10.1021/jp3077936 [details]

Nieckarz, R. J., Oomens, J., Berden, G., Sagulenko, P., & Zenobi, R. (2013). Infrared multiple photon dissociation (IRMPD) spectroscopy of oxazine dyes. Physical Chemistry Chemical Physics, 15(14), 5049-5056. https://doi.org/10.1039/c3cp00158j [details]
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Osburn, S., Berden, G., Oomens, J., Gulyuz, K., Polfer, N. C., O'Hair, R. A. J., & Ryzhov, V. (2013). Structure and Reactivity of the Glutathione Radical Cation: Radical Rearrangement from the Cysteine Sulfur to the Glutamic Acid alpha-Carbon Atom. ChemPlusChem, 78(9), 970-978. https://doi.org/10.1002/cplu.201300057 [details]

Osburn, S., Burgie, T., Berden, G., Oomens, J., O'Hair, R. A. J., & Ryzhov, V. (2013). Structure and Reactivity of Homocysteine Radical Cation in the Gas Phase Studied by Ion-Molecule Reactions and Infrared Multiple Photon Dissociation. The Journal of Physical Chemistry. A, 117(6), 1144-1150. https://doi.org/10.1021/jp304769y [details]

Piatkivskyi, A., Osburn, S., Jaderberg, K., Grzetic, J., Steill, J. D., Oomens, J., Zhao, J., Lau, J. K. C., Verkerk, U. H., Hopkinson, A. C., Siu, K. W. M., & Ryzhov, V. (2013). Structure and Reactivity of the Distonic and Aromatic Radical Cations of Tryptophan. Journal of the American Society for Mass Spectrometry, 24(4), 513-523. https://doi.org/10.1007/s13361-013-0594-0 [details]

Ung, H. U., Moehlig, A. R., Khodagholian, S., Berden, G., Oomens, J., & Morton, T. H. (2013). Proton-Bridge Motions in Amine Conjugate Acid Ions Having Intramolecular Hydrogen Bonds to Hydroxyl and Amine Groups. The Journal of Physical Chemistry. A, 117(6), 1360-1369. https://doi.org/10.1021/jp311506y [details]

Ung, H. U., Moehlig, A. R., Kudla, R. A., Mueller, L. J., Oomens, J., Berden, G., & Morton, T. H. (2013). Proton-bound dimers of 1-methylcytosine and its derivatives: vibrational and NMR spectroscopy. Physical Chemistry Chemical Physics, 15(43), 19001-19012. https://doi.org/10.1039/c3cp52260a [details]
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Yang, B., Wu, R. R., Polfer, N. C., Berden, G., Oomens, J., & Rodgers, M. T. (2013). IRMPD Action Spectroscopy of Alkali Metal Cation-Cytosine Complexes: Effects of Alkali Metal Cation Size on Gas Phase Conformation. Journal of the American Society for Mass Spectrometry, 24(10), 1523-1533. https://doi.org/10.1007/s13361-013-0689-7 [details]

2012

Almasian, M., Grzetic, J., Berden, G., Bakker, B., Buma, W. J., & Oomens, J. (2012). Gas-phase infrared spectrum of the anionic GFP-chromophore. International Journal of Mass Spectrometry, 330-332, 118-123. Advance online publication. https://doi.org/10.1016/j.ijms.2012.08.017 [details]

Almasian, M., Grzetic, J., van Maurik, J., Steill, J. D., Berden, G., Ingemann, S., Buma, W. J., & Oomens, J. (2012). Non-equilibrium isomer distribution of the gas-phase photoactive yellow protein chromophore. The Journal of Physical Chemistry Letters, 3(16), 2259-2263. https://doi.org/10.1021/jz300780t [details]

Brueckmann, L., Tyrra, W., Mathur, S., Berden, G., Oomens, J., Meijer, A. J. H. M., & Schaefer, M. (2012). Examination of the coordination sphere of AlIII in trifluoromethyl-heteroarylalkenolato complex ions by gas-phase IRMPD spectroscopy and computational modelling. ChemPhysChem, 13(8), 2037-2045. https://doi.org/10.1002/cphc.201200132 [details]

Citir, M., Hinton, C. S., Oomens, J., Steill, J. D., & Armentrout, P. B. (2012). Infrared multiple photon dissociation spectroscopy of cationized histidine: effects of metal cation size on gas-phase conformation. The Journal of Physical Chemistry. A, 116(6), 1532-1541. https://doi.org/10.1021/jp209636a [details]

Contreras, C. S., Polfer, N. C., Oomens, J., Steill, J. D., Bendiak, B., & Eyler, J. R. (2012). On the path to glycan conformer identification: Gas-phase study of the anomers of methyl glycosides of N-acetyl-D-glucosamine and N-acetyl-D-galactosamine. International Journal of Mass Spectrometry, 330-332, 285-294. Advance online publication. https://doi.org/10.1016/j.ijms.2012.09.010 [details]

Crampton, K. T., Rathur, A. I., Nei, Y., Berden, G., Oomens, J., & Rodgers, M. T. (2012). Protonation preferentially stabilizes minor tautomers of the halouracils: IRMPD action spectroscopy and theoretical studies. Journal of the American Society for Mass Spectrometry, 23(9), 1469-1478. https://doi.org/10.1007/s13361-012-0434-7 [details]

Dunbar, R. C., Polfer, N. C., Berden, G., & Oomens, J. (2012). Metal ion binding to peptides: oxygen or nitrogen sites? International Journal of Mass Spectrometry, 330-332, 71-77. Advance online publication. https://doi.org/10.1016/j.ijms.2012.10.006 [details]

Dunbar, R. C., Steill, J. D., Polfer, N. C., Berden, G., & Oomens, J. (2012). Peptide bond tautomerization induced by divalent metal ions: characterization of the iminol configuration. Angewandte Chemie, International Edition, 51(19), 4591-4593. https://doi.org/10.1002/anie.201200437, https://doi.org/10.1002/ange.201200437 [details]

Dunbar, R. C., Steill, J. D., Polfer, N. C., Berden, G., & Oomens, J. (2012). Peptide bond tautomerization induced by divalent metal ions: characterization of the iminol configuration. Angewandte Chemie, 124(19), 4669-4671. https://doi.org/10.1002/ange.201200437, https://doi.org/10.1002/anie.201200437 [details]

Galué, H. A., & Oomens, J. (2012). On the electronic structure of isolated mono-dehydrogenated polyaromatic hydrocarbon ions and their astrophysical relevance. Astrophysical Journal, 746(1), Article 83. https://doi.org/10.1088/0004-637X/746/1/83 [details]

Grzetic, J., & Oomens, J. (2012). Spectroscopic evidence for an oxazolone structure in anionic b-type peptide fragments. Journal of the American Society for Mass Spectrometry, 23(2), 290-300. https://doi.org/10.1007/s13361-011-0297-3 [details]
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Grzetic, J., & Oomens, J. (2012). Structure of anionic c-type peptide fragments elucidated by IRMPD spectroscopy. International Journal of Mass Spectrometry, 316, 216-226. https://doi.org/10.1016/j.ijms.2012.02.012 [details]

Gámez, F., Hurtado, P., Hamad, S., Martínez-Haya, B., Berden, G., & Oomens, J. (2012). Tweezer-like complexes of crown ethers with divalent metals: probing cation-size-dependent conformations by vibrational spectroscopy in the gas phase. ChemPlusChem, 77(2), 118-123. https://doi.org/10.1002/cplu.201100044 [details]

Hurtado, P., Gámez, F., Hamad, S., Martínez-Haya, B., Steill, J. D., & Oomens, J. (2012). Multipodal coordination of a tetracarboxylic crown ether with NH4+: a vibrational spectroscopy and computational study. Journal of Chemical Physics, 136(11), 114301. https://doi.org/10.1063/1.3693518 [details]
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Kullman, M. J., Molesworth, S., Berden, G., Oomens, J., & van Stipdonk, M. (2012). IRMPD spectroscopy b(2) ions from protonated tripeptides with 4-aminomethyl benzoic acid residues. International Journal of Mass Spectrometry, 316-318, 174-181. https://doi.org/10.1016/j.ijms.2012.01.008 [details]

Osburn, S., Berden, G., Oomens, J., O'Hair, R. A. J., & Ryzhov, V. (2012). S-to-alpha C radical migration in the radical cations of Gly-Cys and Cys-Gly. Journal of the American Society for Mass Spectrometry, 23(6), 1019-1023. https://doi.org/10.1007/s13361-012-0356-4 [details]

Pirali, O., Boudon, V., Oomens, J., & Vervloet, M. (2012). Rotationally resolved infrared spectroscopy of adamantane. Journal of Chemical Physics, 136(2), Article 024310. https://doi.org/10.1063/1.3666853 [details]
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Shek, P. Y. I., Lau, JK-C., Zhao, J., Grzetic, J., Verkerk, U. H., Oomens, J., Hopkinson, A. C., & Siu, K. W. M. (2012). Fragmentations of protonated cyclic-glycylglycine and cyclic-alanylalanine. International Journal of Mass Spectrometry, 316-318, 199-205. https://doi.org/10.1016/j.ijms.2012.02.011 [details]

Thevis, M., Beuck, S., Hoeppner, S., Thomas, A., Held, J., Schaefer, M., Oomens, J., & Schaenzer, W. (2012). Structure elucidation of the diagnostic product ion at m/z 97 derived from androst-4-en-3-one-based steroids by ESI-CID and IRMPD spectroscopy. Journal of the American Society for Mass Spectrometry, 23(3), 537-546. https://doi.org/10.1007/s13361-011-0308-4 [details]

Tirado, M., Rutters, J., Chen, X., Yeung, A., van Maarseveen, J., Eyler, J. R., Berden, G., Oomens, J., & Polfer, N. C. (2012). Disfavoring macrocycle b fragments by constraining torsional freedom: the "twisted" case of QWFGLM b(6). Journal of the American Society for Mass Spectrometry, 23(3), 475-482. https://doi.org/10.1007/s13361-011-0315-5 [details]

Tonner, R., Schwerdtfeger, P., May, A. L., Steill, J. D., Berden, G., Oomens, J., Campagna, S. R., & Compton, R. N. (2012). Stability of gas-phase tartaric acid anions investigated by quantum chemistry, mass spectrometry, and infrared spectroscopy. The Journal of Physical Chemistry. A, 116(19), 4789-4800. https://doi.org/10.1021/jp3007156 [details]

Van Stipdonk, M., Kullman, M., Berden, G., & Oomens, J. (2012). IRMPD and DFT study of the loss of water from protonated 2-hydroxynicotinic acid. International Journal of Mass Spectrometry, 330-332, 134-143. https://doi.org/10.1016/j.ijms.2012.06.026 [details]

Verkerk, U. H., Zhao, J., Lau, JK-C., Lam, T-W., Hao, Q., Steill, J. D., Siu, C. K., Oomens, J., Hopkinson, A. C., & Siu, K. W. M. (2012). Structures of the a2 ions of Ala-Ala-Ala and Phe-Phe-Phe. International Journal of Mass Spectrometry, 330-332, 254-261. https://doi.org/10.1016/j.ijms.2012.08.034 [details]

Verkerk, U. H., Zhao, J., Saminathan, I. S., Lau, JK-C., Oomens, J., Hopkinson, A. C., & Siu, K. W. M. (2012). Infrared multiple-photon dissociation spectroscopy of tripositive ions: lanthanum-tryptophan complexes. Inorganic Chemistry, 51(8), 4707-4710. https://doi.org/10.1021/ic2026973 [details]

Zou, S., Oomens, J., & Polfer, N. C. (2012). Competition between diketopiperazine and oxazolone formation in water loss products from protonated ArgGly and GlyArg. International Journal of Mass Spectrometry, 316-318, 12-17. https://doi.org/10.1016/j.ijms.2011.12.020 [details]

2011

Alvaro Galué, H., & Oomens, J. (2011). Spectroscopic evidence for a triplet ground state in the naphthyl cation. Angewandte Chemie, International Edition, 50(31), 7004-7007. https://doi.org/10.1002/anie.201102333, https://doi.org/10.1002/ange.201102333 [details]

Alvaro Galué, H., & Oomens, J. (2011). Spectroscopic evidence for a triplet ground state in the naphthyl cation. Angewandte Chemie, 123(31), 7142-7145. https://doi.org/10.1002/ange.201102333, https://doi.org/10.1002/anie.201102333 [details]

Alvaro Galué, H., Rice, C. A., Steill, J. D., & Oomens, J. (2011). Infrared spectroscopy of ionized corannulene in the gas phase. Journal of Chemical Physics, 134(5), 054310. https://doi.org/10.1063/1.3540661 [details]
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Bakker, J. M., Redlich, B., Meer, A. F. G., & Oomens, J. (2011). Infrared spectroscopy of gas-phase polycyclic aromatic hydrocarbon cations in the 10-50 m spectral range. Astrophysical Journal, 741(74), 1-9. https://doi.org/10.1088/0004-637X/741/2/74 [details]

Beran, G. J. O., Chronister, E. L., Daemen, L. L., Moehlig, A. R., Mueller, L. J., Oomens, J., Rice, A., Santiago-Dieppa, D. R., Tham, F. S., Theel, K., Yaghmaei, S., & Morton, T. H. (2011). Vibrations of a chelated proton in a protonated tertiary diamine. Physical Chemistry Chemical Physics, 13(45), 20380-20392. https://doi.org/10.1039/c1cp22065a [details]

Brown, D. J., Stefan, S. E., Berden, G., Steill, J. D., Oomens, J., Eyler, J. R., & Bendiak, B. (2011). Direct evidence for the ring opening of monosaccharide anions in the gas phase: photodissociation of aldohexoses and aldohexoses derived from disaccharides using variable-wavelength infrared irradiation in the carbonyl stretch region. Carbohydrate Research, 346(15), 2469-2481. https://doi.org/10.1016/j.carres.2011.06.018 [details]

Chen, X., Tirado, M., Steill, J. D., Oomens, J., & Polfer, N. C. (2011). Cyclic peptide as reference system for b ion structural analysis in the gas phase. Journal of Mass Spectrometry, 46(10), 1011-1015. https://doi.org/10.1002/jms.1982 [details]

Cooper, T. E., Carl, D. R., Oomens, J., Steill, J. D., & Armentrout, P. B. (2011). Infrared spectroscopy of divalent zinc and cadmium crown ether systems. The Journal of Physical Chemistry. A, 115(21), 5408-5422. https://doi.org/10.1021/jp202646y [details]

Dain, R. P., Gresham, G., Groenewold, G. S., Steill, J. D., Oomens, J., & van Stipdonk, M. J. (2011). Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate. Rapid Communications in Mass Spectrometry, 25(13), 1837-1846. https://doi.org/10.1002/rcm.5053 [details]

Dunbar, R. C., Steill, J. D., & Oomens, J. (2011). Chirality-induced conformational preferences in peptide-metal ion binding revealed by IR spectroscopy. Journal of the American Chemical Society, 133(5), 1212-1215. https://doi.org/10.1021/ja109045j [details]

Dunbar, R. C., Steill, J. D., & Oomens, J. (2011). Encapsulation of metal cations by the PhePhe ligand: a cation-pi ion cage. Journal of the American Chemical Society, 133(24), 9376-9386. https://doi.org/10.1021/ja200219q [details]

Fales, B. S., Fujamade, N. O., Nei, Y. W., Oomens, J., & Rodgers, M. T. (2011). Infrared multiple photon dissociation action spectroscopy and theoretical studies of diethyl phosphate complexes: effects of protonation and sodium cationization on structure. Journal of the American Society for Mass Spectrometry, 22(1), 81-92. https://doi.org/10.1007/s13361-010-0007-6 [details]
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Fales, B. S., Fujamade, N. O., Oomens, J., & Rodgers, M. T. (2011). Infrared multiple photon dissociation action spectroscopy and theoretical studies of triethyl phosphate complexes: effects of protonation and sodium cationization on structure. Journal of the American Society for Mass Spectrometry, 22(10), 1862-1871. https://doi.org/10.1007/s13361-011-0208-7 [details]

Giorgi, G., Ceraulo, L., Berden, G., Oomens, J., & Turco Liveri, V. (2011). Gas phase infrared multiple photon dissociation spectra of positively charged sodium bis(2-ethylhexyl)sulfosuccinate reverse micelle-like aggregates. The journal of Physical Chemistry. B, 115(10), 2282-2286. https://doi.org/10.1021/jp110941p [details]

Groenewold, G. S., van Stipdonk, M. J., Oomens, J., de Jong, W. A., & McIlwain, M. E. (2011). The gas-phase bis-uranyl nitrate complex [(UO2)2(NO3)5]-: Infrared spectrum and structure. International Journal of Mass Spectrometry, 308(2-3), 175-180. https://doi.org/10.1016/j.ijms.2011.06.002 [details]

Gámez, F., Hurtado, P., Martínez-Haya, B., Berden, G., & Oomens, J. (2011). Vibrational study of isolated 18-crown-6 ether complexes with alkaline-earth metal cations. International Journal of Mass Spectrometry, 308, 217-224. https://doi.org/10.1016/j.ijms.2011.06.015 [details]

Hofstetter, T. E., Howder, C., Berden, G., Oomens, J., & Armentrout, P. B. (2011). Structural elucidation of biological and toxicological complexes: investigation of monomeric and dimeric complexes of histidine with multiply charged transition metal (Zn and Cd) cations using IR action spectroscopy. The journal of Physical Chemistry. B, 115(43), 12648-12661. https://doi.org/10.1021/jp207294b [details]

Hurtado, P., Gámez, F., Hamad, S., Martínez-Haya, B., Steill, J. D., & Oomens, J. (2011). Crown ether complexes with H(3)O(+) and NH(4)(+): proton localization and proton bridge formation. The Journal of Physical Chemistry. A, 115(25), 7275-7282. https://doi.org/10.1021/jp200481w [details]

Lagutschenkov, A., Langer, J., Berden, G., Oomens, J., & Dopfer, O. (2011). Infrared spectra of protonated neurotransmitters: dopamine. Physical Chemistry Chemical Physics, 13(7), 2815-2823. https://doi.org/10.1039/c0cp02133d [details]

Lagutschenkov, A., Langer, J., Berden, G., Oomens, J., & Dopfer, O. (2011). Infrared spectra of the protonated neurotransmitter histamine: competition between imidazolium and ammonium isomers in the gas phase. Physical Chemistry Chemical Physics, 13(34), 15644-15656. https://doi.org/10.1039/c1cp21681c [details]

Massah, A. R., Dreiocker, F., Jackson, R. F. W., Pickup, B. T., Oomens, J., Meijer, A. J. H. M., & Schaefer, M. (2011). Gas-phase study of new organozinc reagents by IRMPD-spectroscopy, computational modelling and tandem-MS. Physical Chemistry Chemical Physics, 13(29), 13255-13267. https://doi.org/10.1039/c1cp20747d [details]

Nei, Y. W., Akinyemi, T. E., Kaczan, C. M., Steill, J. D., Berden, G., Oomens, J., & Rodgers, M. T. (2011). Infrared multiple photon dissociation action spectroscopy of sodiated uracil and thiouracils: effects of thioketo-substitution on gas-phase conformation. International Journal of Mass Spectrometry, 308(2-3), 191-202. https://doi.org/10.1016/j.ijms.2011.06.019 [details]

Oomens, J., & Morton, T. H. (2011). Aldehyde and ketone adducts of the gaseous trifluoromethyl cation. Organic Letters, 13(9), 2176-2179. https://doi.org/10.1021/ol200369m [details]

Oomens, J., & Morton, T. H. (2011). Fluoronium metathesis and rearrangements of fluorine stabilized carbocations. International Journal of Mass Spectrometry, 308(2-3), 232-238. https://doi.org/10.1016/j.ijms.2011.07.024 [details]

Osburn, S., Berden, G., Oomens, J., O'Hair, R. A. J., & Ryzhov, V. (2011). Structure and reactivity of the N-acetyl-cysteine radical cation and anion: does radical migration occur? Journal of the American Society for Mass Spectrometry, 22(10), 1794-1803. https://doi.org/10.1007/s13361-011-0198-5 [details]

Osburn, S., Steill, J. D., Oomens, J., O'Hair, R. A. J., van Stipdonk, M., & Ryzhov, V. (2011). Structure and reactivity of the cysteine methyl ester radical cation. Chemistry - A European Journal, 17(3), 873-879. https://doi.org/10.1002/chem.201002042 [details]

Prell, J. S., Chang, T. M., Biles, J. A., Berden, G., Oomens, J., & Williams, E. R. (2011). Isomer population analysis of gaseous ions from infrared multiple photon dissociation kinetics. The Journal of Physical Chemistry. A, 115(13), 2745-2751. https://doi.org/10.1021/jp2004166 [details]

Ross, A. J., Dreiocker, F., Schäfer, M., Oomens, J., Meijer, A. J. H. M., Pickup, B. T., & Jackson, R. F. W. (2011). Evidence for the role of tetramethylethylenediamine in aqueous Negishi cross-coupling: synthesis of nonproteinogenic phenylalanine derivatives on water. Journal of Organic Chemistry, 76(6), 1727-1734. https://doi.org/10.1021/jo102334c [details]

Rummel, J. L., Steill, J. D., Oomens, J., Contreras, C. S., Pearson, W. L., Szczepanski, J., Powell, D. H., & Eyler, J. R. (2011). Structural elucidation of direct analysis in real time ionized nerve agent simulants with infrared multiple photon dissociation spectroscopy. Analytical Chemistry, 83(11), 4045-4052. https://doi.org/10.1021/ac102973a [details]

Steill, J. D., & Oomens, J. (2011). Spectroscopically resolved competition between dissociation and detachment from nitrobenzene radical anion. International Journal of Mass Spectrometry, 308(2-3), 239-252. https://doi.org/10.1016/j.ijms.2011.08.001 [details]

Steill, J. D., Szczepanski, J., Oomens, J., Eyler, J. R., & Brajter-Toth, A. (2011). Structural characterization by infrared multiple photon dissociation spectroscopy of protonated gas-phase ions obtained by electrospray ionization of cysteine and dopamine. Analytical and Bioanalytical Chemistry, 399(7), 2463-2473. https://doi.org/10.1007/s00216-010-4582-y [details]

Szczepanski, J., Oomens, J., Steill, J. D., & Vala, M. T. (2011). H2 ejection from polycyclic aromatic hydrocarbons: infrared multiphoton dissociation study of protonated acenaphthene and 9,10-dihydrophenanthrene. Astrophysical Journal, 727(1), 12. https://doi.org/10.1088/0004-637X/727/1/12 [details]

Vala, M., Szczepanski, J., & Oomens, J. (2011). Formation of molecular hydrogen from protonated 9,10-dihydroanthracene: is the ejected H2 rotationally and vibrationally excited? International Journal of Mass Spectrometry, 308, 181-190. https://doi.org/10.1016/j.ijms.2011.06.008 [details]

Verkerk, U. H., Zhao, J., van Stipdonk, M. J., Bythell, B. J., Oomens, J., Hopkinson, A. C., & Siu, K. W. M. (2011). Structure of the [M + H - H2O]+ ion from tetraglycine: a revisit by means of density functional theory and isotope labeling. The Journal of Physical Chemistry. A, 115(24), 6683-6687. https://doi.org/10.1021/jp202820h [details]

Yao, H., Steill, J. D., Oomens, J., & Jockusch, R. A. (2011). Infrared multiple photon dissociation action spectroscopy and computational studies of mass-selected gas-phase fluorescein and 2 ',7 '-dichlorofluorescein ions. The Journal of Physical Chemistry. A, 115(34), 9739-9747. https://doi.org/10.1021/jp201946a [details]

van Zundert, G. C. P., Jaeqx, S., Berden, G., Bakker, J. M., Kleinermanns, K., Oomens, J., & Rijs, A. M. (2011). IR spectroscopy of isolated neutral and protonated adenine and 9-methyladenine. ChemPhysChem, 12(10), 1921-1927. https://doi.org/10.1002/cphc.201100133 [details]

2010

Ard, S., Mirsaleh-Kohan, N., Steill, J. D., Oomens, J., Nielsen, S. B., & Compton, R. N. (2010). Dissociation of dicarboxylate and disulfonate dianions. Journal of Chemical Physics, 132(9), 094301. https://doi.org/10.1063/1.3292577 [details]
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Chen, X., Steill, J. D., Oomens, J., & Polfer, N. C. (2010). Oxazolone versus macrocycle structures for Leu-enkephalin b2-b4: Insights from infrared multiple-photon dissociation spectroscopy and gas-phase hydrogen/deuterium exchange. Journal of the American Society for Mass Spectrometry, 21(8), 1313-1321. https://doi.org/10.1016/j.jasms.2010.02.022 [details]

Citir, M., Stennett, E. M. S., Oomens, J., Steill, J. D., Rodgers, M. T., & Armentrout, P. B. (2010). Infrared multiple photon dissociation spectroscopy of cationized cysteine: Effects of metal cation size on gas-phase conformation. International Journal of Mass Spectrometry, 297(1-3), 9-17. https://doi.org/10.1016/j.ijms.2010.04.009 [details]

Drayß, M. K., Armentrout, P. B., Oomens, J., & Schäfer, M. (2010). IR spectroscopy of cationized aliphatic amino acids: Stability of charge-solvated structure increases with metal cation size. International Journal of Mass Spectrometry, 297(1-3), 18-27. https://doi.org/10.1016/j.ijms.2010.04.010 [details]

Dreiocker, F., Oomens, J., Meijer, A. J. H. M., Pickup, B. T., Jackson, R. F. W., & Schäfer, M. (2010). Structure elucidation of dimethylformamide-solvated alkylzinc cations in the gas phase. Journal of Organic Chemistry, 75(4), 1203-1213. https://doi.org/10.1021/jo902492z [details]

Dunbar, R. C., Steill, J. D., & Oomens, J. (2010). Cationized phenylalanine conformations characterized by IRMPD and computation for singly and doubly charged ions. Physical Chemistry Chemical Physics, 12(41), 13383-13393. https://doi.org/10.1039/c0cp00784f [details]

Dunbar, R. C., Steill, J. D., & Oomens, J. (2010). Conformations and vibrational spectroscopy of metal-ion/polylalanine complexes. International Journal of Mass Spectrometry, 297(1-3), 107-115. https://doi.org/10.1016/j.ijms.2010.07.001 [details]

Galué, H. A., Pirali, O., & Oomens, J. (2010). Gas-phase infrared spectra of cationized nitrogen-substituted polycyclic aromatic hydrocarbons. Astronomy & Astrophysics, 517, A15. https://doi.org/10.1051/0004-6361/201014050 [details]
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Groenewold, G. S., de Jong, W. A., Oomens, J., & van Stipdonk, M. J. (2010). Variable denticity in carboxylate binding to the uranyl coordination complexes. Journal of the American Society for Mass Spectrometry, 21(5), 719-727. https://doi.org/10.1016/j.jasms.2010.01.021 [details]

Lagutschenkov, A., Langer, J., Berden, G., Oomens, J., & Dopfer, O. (2010). Infrared spectra of protonated neurotransmitters: serotonin. The Journal of Physical Chemistry. A, 114(50), 13268-13276. https://doi.org/10.1021/jp109337a [details]

Martínez-Haya, B., Hurtado, P., Hortal, A. R., Hamad, S., Steill, J. D., & Oomens, J. (2010). Emergence of symmetry and chirality in crown ether complexes with alkali metal cations. The Journal of Physical Chemistry. A, 114(26), 7048-7054. https://doi.org/10.1021/jp103389g [details]

Nei, Y. W., Akinyemi, T. E., Steill, J. D., Oomens, J., & Rodgers, M. T. (2010). Infrared multiple photon dissociation action spectroscopy of protonated uracil and thiouracils: Effects of thioketo-substitution on gas-phase conformation. International Journal of Mass Spectrometry, 297(1-3), 139-151. https://doi.org/10.1016/j.ijms.2010.08.005 [details]

O'Brien, J. T., Prell, J. S., Berden, G., Oomens, J., & Williams, E. R. (2010). Effects of anions on the zwitterion stability of Glu, His and Arg investigated by IRMPD spectroscopy and theory. International Journal of Mass Spectrometry, 297(1-3), 116-123. https://doi.org/10.1016/j.ijms.2010.07.003 [details]

Oomens, J., & Morton, T. H. (2010). Structures of products from positive ion-molecule reactions by means of vibrational spectroscopy. European Journal of Mass Spectrometry, 16(3), 313-319. https://doi.org/10.1255/ejms.1060 [details]

Oomens, J., & Steill, J. D. (2010). The structure of deprotonated tri-alanine and its a(3)(-) fragment anion by IR spectroscopy. Journal of the American Society for Mass Spectrometry, 21(5), 698-706. https://doi.org/10.1016/j.jasms.2010.01.004 [details]

Oomens, J., Moehlig, A. R., & Morton, T. H. (2010). Infrared multiple photon dissociation (IRMPD) spectroscopy of the proton-bound dimer of 1-methylcytosine in the gas phase. The Journal of Physical Chemistry Letters, 1(19), 2891-2897. https://doi.org/10.1021/jz101080x [details]

Oomens, J., Steill, J. D., & Morton, T. H. (2010). IR spectra of boron-stabilized anions in the gas phase. Inorganic Chemistry, 49(15), 6781-6783. https://doi.org/10.1021/ic1005874 [details]

Palii, S. P., Contreras, C. S., Steill, J. D., Palii, S. S., Oomens, J., & Eyler, J. R. (2010). Triuret as a potential hypokalemic agent: Structure characterization of triuret and triuret-alkali metal adducts by mass spectrometric techniques. Archives of biochemistry and biophysics, 498(1), 23-34. https://doi.org/10.1016/j.abb.2010.03.023 [details]

Pirali, O., Galué, H. A., Dahl, J. E., Carlson, R. M. K., & Oomens, J. (2010). Infrared spectra and structures of diamantyl and triamantyl carbocations. International Journal of Mass Spectrometry, 297(1-3), 55-62. https://doi.org/10.1016/j.ijms.2010.05.018 [details]

Rijs, A. M., Sändig, N., Blom, M. N., Oomens, J., Hannam, J. S., Leigh, D. A., Zerbetto, F., & Buma, W. J. (2010). Controlled Hydrogen‐Bond Breaking in a Rotaxane by Discrete Solvation. Angewandte Chemie, International Edition, 49(23), 3896-3900. https://doi.org/10.1002/anie.201001231, https://doi.org/10.1002/ange.201001231 [details]

Rijs, A. M., Sändig, N., Blom, M. N., Oomens, J., Hannam, J. S., Leigh, D. A., Zerbetto, F., & Buma, W. J. (2010). Controlled Hydrogen‐Bond Breaking in a Rotaxane by Discrete Solvation. Angewandte Chemie, 122(23), 3988-3992. https://doi.org/10.1002/ange.201001231, https://doi.org/10.1002/anie.201001231 [details]

Verkerk, U. H., Siu, C. K., Steill, J. D., El Aribi, H., Zhao, J., Rodriquez, C. F., Oomens, J., Hopkinson, A. C., & Siu, K. W. M. (2010). a2 ion derived from triglycine: an N1-protonated 4-imidazolidinone. The Journal of Physical Chemistry Letters, 1(5), 868-872. https://doi.org/10.1021/jz900464a [details]

2009

Chen, X., Yu, L., Steill, J. D., Oomens, J., & Polfer, N. C. (2009). Effect of peptide fragment size on the propensity of cyclization in collision-induced dissociation: Oligoglycine b2-b8. Journal of the American Chemical Society, 131(51), 18272-18282. https://doi.org/10.1021/ja9030837 [details]

Drayß, M. K., Blunk, D., Oomens, J., Gao, B., Wyttenbach, T., Bowers, M. T., & Schäfer, M. (2009). Systematic study of the structures of potassiated tertiary amino acids: salt bridge structures dominate. The Journal of Physical Chemistry. A, 113(34), 9543-9550. https://doi.org/10.1021/jp903036t [details]

Dunbar, R. C., Steill, J. D., Polfer, N. C., & Oomens, J. (2009). Peptide length, steric effects, and ion solvation govern zwitterion stabilization in barium-chelated di- and tripeptides. The journal of Physical Chemistry. B, 113(31), 10552-10554. https://doi.org/10.1021/jp905060n [details]

Knorke, H., Langer, J., Oomens, J., & Dopfer, O. (2009). Infrared spectra of isolated protonated polycyclic aromatic hydrocarbon molecules. Astrophysical Journal Letters, 706(1), L66-L70. https://doi.org/10.1088/0004-637X/706/1/L66 [details]

Rijs, A. M., Compagnon, I., Oomens, J., Hannam, J. S., Leigh, D. A., & Buma, W. J. (2009). Stiff, and sticky in the right places: Binding interactions in isolated mechanically interlocked molecules probed by mid-infrared spectroscopy. Journal of the American Chemical Society, 131(7), 2428-2429. https://doi.org/10.1021/ja808788c [details]

Steill, J. D., & Oomens, J. (2009). Gas-phase deprotonation of p-hydroxybenzoic acid investigated by IR spectroscopy: Solution-phase structure is retained upon ESI. Journal of the American Chemical Society, 131(38), 13570-13571. https://doi.org/10.1021/ja903877v [details]

Zhao, D., Langer, J., Oomens, J., & Dopfer, O. (2009). Infrared spectra of protonated polycyclic aromatic hydrocarbon molecules: Azulene. Journal of Chemical Physics, 131(18), 184307. https://doi.org/10.1063/1.3262720 [details]
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2017

Boles, G. C., Owen, C. J., Berden, G., Oomens, J., & Armentrout, P. B. (2017). Correction: Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn²⁺ and Cd²⁺. Physical Chemistry Chemical Physics, 19(28), 18774-18776. https://doi.org/10.1039/c7cp90145c

Coates, R. A., Boles, G. C., McNary, C. P., Berden, G., Oomens, J., & Armentrout, P. B. (2017). Correction: Zn²⁺ and Cd²⁺ cationized serine complexes: infrared multiple photon dissociation spectroscopy and density functional theory investigations. Physical Chemistry Chemical Physics, 19(27), 18100-18101. https://doi.org/10.1039/c7cp90143g

Coates, R. A., McNary, C. P., Boles, G. C., Berden, G., Oomens, J., & Armentrout, P. B. (2017). Correction: Structural characterization of gas-phase cysteine and cysteine methyl ester complexes with zinc and cadmium dications by infrared multiple photon dissociation spectroscopy. Physical Chemistry Chemical Physics, 19(28), 18777-18778. https://doi.org/10.1039/c7cp90144e

2011

Oomens, J. (2011). Laboratory infrared spectroscopy of PAHs. In C. Joblin, & A. G. G. M. Tielens (Eds.), PAHs and the Universe (pp. 61-73). (EAS Publication Series; No. Vol. 46.). EDP Sciences. https://doi.org/10.1051/eas/1146007 [details]
2013

Piatkivskyi, A., Osburn, S., Jaderberg, K., Grzetic, J., Steill, J. D., Oomens, J., Zhao, J., Lau, J. K. C., Verkerk, U. H., Hopkinson, A. C., Siu, K. W. M., & Ryzhov, V. (2013). Erratum to: Structure and reactivity of the distonic and aromatic radical cations of tryptophan. Journal of the American Society for Mass Spectrometry, 24(10), 1620. https://doi.org/10.1007/s13361-013-0708-8
Prize / grant

Oomens, J. (2016). MSCA-ITN-ETN network “EUROPAH”.
2017

Maltseva, E. O. (2017). Probing potential energy surfaces with high-resolution spectroscopy: From the Universe's carbon locker to molecular machines. [Thesis, fully internal, Universiteit van Amsterdam]. [details]
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Thesis (complete)
Front matter
1: Introduction
2: High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons: The realm of anharmonicity
3: High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3μm region: Role of periphery
4: High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3μm region: Role of hydrogenation and alkylation
5: Vibrationally-resolved spectroscopic studies of electronically excited states of 1,8-naphthalic anhydride and 1,8-naphthalimide: A delicate interplay between one ππ* and two nπ* states
6: High-resolution gas-phase spectroscopy of a single-bond axle rotary motor
Back matter
2023

Finazzi, L., Martens, J., Berden, G. & Oomens, J. (2023). Probing radical versus proton migration in the aniline cation with IRMPD spectroscopy. Taylor & Francis. https://doi.org/10.6084/m9.figshare.22347698.v1

Paul, M., Thomulka, T., Harnying, W., Neudörfl, J.-M., Adams, C. R., Martens, J., Berden, G., Oomens, J., Meijer, A. J. H. M., Berkessel, A. & Schäfer, M. (2023). CCDC 2220667: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc2djsf5

Paul, M., Thomulka, T., Harnying, W., Neudörfl, J.-M., Adams, C. R., Martens, J., Berden, G., Oomens, J., Meijer, A. J. H. M., Berkessel, A. & Schäfer, M. (2023). CCDC 2220666: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc2djsd4

Paul, M., Thomulka, T., Harnying, W., Neudörfl, J.-M., Adams, C. R., Martens, J., Berden, G., Oomens, J., Meijer, A. J. H. M., Berkessel, A. & Schäfer, M. (2023). CCDC 2220665: Experimental Crystal Structure Determination. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc2djsc3

2020

Breugst, M., Berkessel, A., Martens, J., Berden, G., Neudörfl, J.-M., Thomulka, T., Oomens, J., Meijer, A. J. H. M., Schäfer, M., Paul, M. & Peckelsen, K. (2020). CCDC 2006542: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc25bz5p

Schäfer, M., Peckelsen, K., Neudörfl, J.-M., Breugst, M., Paul, M., Berkessel, A., Meijer, A. J. H. M., Berden, G., Oomens, J., Thomulka, T. & Martens, J. (2020). CCDC 1824032: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z71r0

Meijer, A. J. H. M., Berkessel, A., Neudörfl, J.-M., Schäfer, M., Berden, G., Breugst, M., Peckelsen, K., Martens, J., Thomulka, T., Oomens, J. & Paul, M. (2020). CCDC 1824031: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z71qz

Paul, M., Neudörfl, J.-M., Oomens, J., Berden, G., Breugst, M., Meijer, A. J. H. M., Peckelsen, K., Schäfer, M., Thomulka, T., Berkessel, A. & Martens, J. (2020). CCDC 2006541: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc25bz4n

Oomens, J., Breugst, M., Paul, M., Meijer, A. J. H. M., Berkessel, A., Schäfer, M., Peckelsen, K., Thomulka, T., Martens, J., Berden, G. & Neudörfl, J.-M. (2020). CCDC 1824033: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z71s1

Thomulka, T., Berkessel, A., Oomens, J., Martens, J., Schäfer, M., Neudörfl, J.-M., Berden, G., Peckelsen, K., Paul, M., Meijer, A. J. H. M. & Breugst, M. (2020). CCDC 1588473: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1q9y21

2019

Schäfer, M., Berden, G., Berkessel, A., Oomens, J., Meijer, A. J. H. M., Neudörfl, J., Paul, M., Peckelsen, K., Thomulka, T. & Martens, J. (2019). CCDC 1825830: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1z8xrx

Meijer, A. J. H. M., Paul, M., Peckelsen, K., Berkessel, A., Oomens, J., Thomulka, T., Berden, G., Neudörfl, J., Martens, J. & Schäfer, M. (2019). CCDC 1911879: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc225gj8

2017

Paul, M., Meijer, A. J. H. M., Berkessel, A., Martens, J., Oomens, J., Peckelsen, K., Berden, G. & Schäfer, M. (2017). CCDC 1469243: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1l9vyp

Oomens, J., Martens, J., Schäfer, M., Peckelsen, K., Berden, G., Meijer, A. J. H. M., Paul, M. & Berkessel, A. (2017). CCDC 1469242: Experimental Crystal Structure Determination. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1l9vxn
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Prof. dr. J. (Jos) Oomens

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