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Accueil du site > Production scientifique > Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine

Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine

Date de publication: 1er juillet 2013

L. Feketeova, G. N. Khairallah, B. Chan, V. Steinmetz, P. Maître, L. Radom, R. A. J. O’Hair
Chem Commun (Camb).  49(66) 7343—7345 (2013). DOI

Travail réalisé sur le site de l’Université Paris-Sud.

Abstract

Oxidative damage to DNA yields guanine radical cations. Their gasphase IR spectroscopic signature and acidity have been modelled by the radical cation of 9-methylguanine. Comparisons with quantum chemistry calculations suggest that radical cation formation produces the ground-state keto tautomer, which has an N–H acidity enhanced by B470 kJ mol1.