Identifying Cytosine-Specific Isomers via High-Accuracy Single Photon Ionization

Z. Chen 1 K.-C. Lau 1 G. A. Garcia 2 L. Nahon 2 D. K. Božanić 2 L. Poisson 3, 4 M. M. Al-Mogren 5 M. Schwell 6 J. S. Francisco 7 A. Bellili 8 M. Hochlaf 8
1 Department of Biology and Chemistry
2 SSOLEIL - Synchrotron SOLEIL
3 LIDyl - Laboratoire Interactions, Dynamique et Lasers (ex SPAM)
4 DyR - Dynamique Réactionnelle
IRAMIS - Institut Rayonnement Matière de Saclay, LIDyl - Laboratoire Interactions, Dynamique et Lasers (ex SPAM)
5 Faculty of Science, King Saud University
6 LISA - Laboratoire inter-universitaire des systèmes atmosphèriques
7 Department of Chemistry
8 MSME - Laboratoire de Modélisation et Simulation Multi Echelle
Abstract : Biological entities, such as DNA bases or proteins, possess numerous tautomers and isomers that lie close in energy, making the experimental characterization of a unique tautomer challenging. We apply VUV synchrotron-based experiments combined with state-of-the-art ab initio methodology to determine the adiabatic ionization energies (AIEs) of specific gas-phase cytosine tautomers produced in a molecular beam. The structures and energetics of neutral and cationic cytosine tautomers were determined using explicitly correlated methods. The experimental spectra correspond to well-resolved bands that are attributable to the specific contributions of five neutral tautomers of cytosine prior to ionization. Their AIEs are experimentally determined for the first time with an accuracy of 0.003 eV. This study also serves as an important showcase for other biological entities presenting a dense pattern of isomeric and tautomeric forms in their spectra that can be investigated to understand the charge redistribution in these species upon ionization.
Type de document :
Article dans une revue
Journal of the American Chemical Society, American Chemical Society, 2016, 138 (51), pp.16596-16599. 〈10.1021/jacs.6b10413〉
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https://hal-cea.archives-ouvertes.fr/cea-01428843
Contributeur : Caroline Lebe <>
Soumis le : vendredi 6 janvier 2017 - 15:46:28
Dernière modification le : mardi 29 mai 2018 - 12:50:40

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CEA | DSM-IRAMIS | UPEC-UPEM | IRAMIS-LIDYL | MSME | MSME_CT | USPC | UNIV-PARIS-SACLAY | SYNCHROTRON-SOLEIL | INSU | CEA-DRF | CEA-UPSAY

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Z. Chen, K.-C. Lau, G. A. Garcia, L. Nahon, D. K. Božanić, et al.. Identifying Cytosine-Specific Isomers via High-Accuracy Single Photon Ionization. Journal of the American Chemical Society, American Chemical Society, 2016, 138 (51), pp.16596-16599. 〈10.1021/jacs.6b10413〉. 〈cea-01428843〉

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