Distonic isomers and tautomers of adenine cation radical in the gas phase and aqueous solution

[en] The gas-phase protonation of adenine is predicted to occur preferentially at N1, N3, and N7, which have the highest proton affinities PA = 939, 932, and 904 kJ mol-1, respectively, as calculated by coupled-cluster ab initio theory and combined density fun

Disciplines :

Chemistry

Author, co-author :

Chen, Xhiaong

Syrstad, Erik A.

Nguyen, Minh Tho

Gerbaux, Pascal

Turecek, Frantisek

Language :

English

Title :

Distonic isomers and tautomers of adenine cation radical in the gas phase and aqueous solution

Publication date :

01 January 2004

Journal title :

Journal of Physical Chemistry. A

ISSN :

1089-5639

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

108

Issue :

Pages :

9283-9293

Peer reviewed :

Peer Reviewed verified by ORBi

Research unit :

S836 - Synthèse et spectrométrie de masse organiques

Available on ORBi UMONS :

since 10 July 2010

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For recent studies of protonation sites in heterocycles and nucleo-bases, see (a) Wolken, J. K.; Syrstad, E. A.; Vivekananda, S.; Tureček, F. J. Am. Chem. Soc. 2001, 123, 5804-5805. (b) Wolken, J. K.; Tureček, F. J. Phys. Chem. A 2001, 105, 8352-8360. Wolken, J. K.; Tureček, F. J. Am. Soc. Mass Spectrom. 2000 11, 1065-1071. Wolken, J. K.; Tureček, F. J. Am. Chem. Soc. 1999, 121, 6010-6018. (e) Nguyen, V. Q.; Tureček, F. J. Am. Chem. Soc. 1997, 119, 2280-2290. (f) Nguyen, V. Q.; Tureček, F. J. Mass Spectrom. 1997, 32, 55-63. (g) Nguyen, V. Q.; Tureček, F. J. Mass Spectrom. 1996, 31, 1173-1184.
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