Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases
2 Year Impact Factor 2023: 2.7
| Main Authors: | , , , , |
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| Format: | info:eu-repo/semantics/publishedVersion |
| Language: | eng |
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2024
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| Online Access: | http://hdl.handle.net/11086/552603 https://pubs.acs.org/doi/abs/10.1021/acs.jpca.4c02199# https://pubmed.ncbi.nlm.nih.gov/38656804/ https://doi.org/10.1021/acs.jpca.4c02199 |
| _version_ | 1806012060838920192 |
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| author | Molina, Franco L. Broquier, Michel Soorkia, Satchin Grégoire, Gilles Pino, Gustavo A. |
| author2 | https://orcid.org/0000-0002-2096-5147 |
| author_facet | https://orcid.org/0000-0002-2096-5147 Molina, Franco L. Broquier, Michel Soorkia, Satchin Grégoire, Gilles Pino, Gustavo A. |
| author_sort | Molina, Franco L. |
| collection | Repositorio Digital Universitario |
| description | 2 Year Impact Factor 2023: 2.7 |
| format | info:eu-repo/semantics/publishedVersion |
| id | rdu-unc.552603 |
| institution | Universidad Nacional de Cordoba |
| language | eng |
| publishDate | 2024 |
| record_format | dspace |
| spelling | rdu-unc.5526032024-07-07T06:25:04Z Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases Molina, Franco L. Broquier, Michel Soorkia, Satchin Grégoire, Gilles Pino, Gustavo A. https://orcid.org/0000-0002-2096-5147 https://orcid.org/0000-0002-2644-8036 https://orcid.org/0000-0003-4635-2864 https://orcid.org/0000-0002-8577-3621 https://orcid.org/0000-0002-8702-2688 Cations Lasers Molecular structure Photodissociation Photodissociation spectroscopy 2 Year Impact Factor 2023: 2.7 info:eu-repo/semantics/publishedVersion Fil: Molina, Franco L. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Fisicoquímica. Centro Láser de Ciencias Moleculares, Argentina. Fil: Molina, Franco L. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química de Córdoba, Argentina. Fil: Molina, Franco L. Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d’Orsay, Orsay F-91405, France Fil: Broquier, Michel. Université Paris-Saclay, CNRS. Institut des Sciences Moléculaires, France. Fil: Soorkia, Satchin. Université Paris-Saclay, CNRS. Institut des Sciences Moléculaires d’Orsay, France. Fil: Grégoire, Gilles. Université Paris-Saclay, CNRS. Institut des Sciences Moléculaires d’Orsay, France. Fil: Pino, Gustavo A. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Fisicoquímica. Centro Láser de Ciencias Moleculares, Argentina. Fil: Pino, Gustavo A. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química de Córdoba, Argentina. Fil: Pino, Gustavo A. Université de Rennes. Institut de Physique de Rennes, France. The vibrational and electronic spectroscopy of the radical cations of two nucleobases (NB) (uracil and thymine) was studied by cryogenic ion photodissociation spectroscopy. The radical cations have been generated from the photodissociation of NB–Ag+ complexes. A charge transfer process from the NB to Ag+ governs the deactivation mechanism, leading to the formation of the radical cation without further tautomerization. Single- and double-resonance spectroscopy allows for structural assignments of both the silver complexes and the radical cations by comparison with DFT-based calculations. Interestingly, a tautomer-dependent fragmentation is observed in the thymine enol form that involves the loss of NCO, a fragment which was never reported before for this NB. This selective photodissociation of silver complexes containing aromatic chromophore greatly expands the current technique to produce isomer-selected radical cations in the gas phase providing benchmark experimental data to assess calculations of open-shell species. info:eu-repo/semantics/publishedVersion Fil: Molina, Franco L. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Fisicoquímica. Centro Láser de Ciencias Moleculares, Argentina. Fil: Molina, Franco L. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química de Córdoba, Argentina. Fil: Molina, Franco L. Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d’Orsay, Orsay F-91405, France Fil: Broquier, Michel. Université Paris-Saclay, CNRS. Institut des Sciences Moléculaires, France. Fil: Soorkia, Satchin. Université Paris-Saclay, CNRS. Institut des Sciences Moléculaires d’Orsay, France. Fil: Grégoire, Gilles. Université Paris-Saclay, CNRS. Institut des Sciences Moléculaires d’Orsay, France. Fil: Pino, Gustavo A. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Fisicoquímica. Centro Láser de Ciencias Moleculares, Argentina. Fil: Pino, Gustavo A. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química de Córdoba, Argentina. Fil: Pino, Gustavo A. Université de Rennes. Institut de Physique de Rennes, France. 2024-07-06T14:16:45Z 2024-07-06T14:16:45Z 2024-04-24 article Molina, F. L., Broquier, M., Soorkia, S., Grégoire, G., & Pino, G. A. (2024). Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases. The Journal of Physical Chemistry A, 128(18), 3596-3603. http://hdl.handle.net/11086/552603 1089-5639 https://pubs.acs.org/doi/abs/10.1021/acs.jpca.4c02199# https://pubmed.ncbi.nlm.nih.gov/38656804/ https://doi.org/10.1021/acs.jpca.4c02199 eng Attribution-NonCommercial-ShareAlike 4.0 International http://creativecommons.org/licenses/by-nc-sa/4.0/ |
| spellingShingle | Cations Lasers Molecular structure Photodissociation Photodissociation spectroscopy Molina, Franco L. Broquier, Michel Soorkia, Satchin Grégoire, Gilles Pino, Gustavo A. Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases |
| title | Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases |
| title_full | Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases |
| title_fullStr | Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases |
| title_full_unstemmed | Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases |
| title_short | Selective Tautomer Production and Cryogenic Ion Spectroscopy of Radical Cations: The Uracil and Thymine Cases |
| title_sort | selective tautomer production and cryogenic ion spectroscopy of radical cations the uracil and thymine cases |
| topic | Cations Lasers Molecular structure Photodissociation Photodissociation spectroscopy |
| url | http://hdl.handle.net/11086/552603 https://pubs.acs.org/doi/abs/10.1021/acs.jpca.4c02199# https://pubmed.ncbi.nlm.nih.gov/38656804/ https://doi.org/10.1021/acs.jpca.4c02199 |
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