NDLI: Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

Content Provider	Springer Nature Link
Author	Gutowski, M. Dabkowska, I. Rak, J. Xu, S. Nilles, J.M. Radisic, D. Bowen Jr, K.H.
Copyright Year	2002
Abstract	The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order Møller-Plesset theory calculations indicate that the excess electron occupies a π* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme.
Starting Page	431
Ending Page	439
Page Count	9
File Format	PDF
ISSN	14346060
Journal	The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics
Volume Number	20
Issue Number	3
e-ISSN	14346079
Language	English
Publisher	EDP Sciences, Springer-Verlag, Società Italiana di Fisica
Publisher Date	2002-09-01
Publisher Place	Bologna
Access Restriction	One Nation One Subscription (ONOS)
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics

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