UV-induced hydrogen-atom elimination and migration of 9-methyladenine in low-temperature noble-gas matrices

被引：4

作者：

Iizumi, Shota ^{[1
]}

Akai, Nobuyuki ^{[1
]}

Nakata, Munetaka ^{[1
]}

机构：

[1] Tokyo Univ Agr & Technol, Grad Sch BASE Bioapplicat & Syst Engn, Koganei, Tokyo 1848588, Japan

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2013年 / 1037卷

关键词：

9-Methyladenine; IR spectrum of amino radical; Amine-imine tautomerism; Photoreaction mechanism; Low-temperature noble-gas matrix; DENSITY-FUNCTIONAL-THEORY; AMINO-IMINO TAUTOMERISM; MOLECULAR-STRUCTURE; PROTONATED ADENINE; ARGON MATRIX; BASES; SPECTRA; SPECTROSCOPY; DYNAMICS; PURINE;

D O I：

10.1016/j.molstruc.2012.12.030

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The UV-induced photoreaction of 9-methyladenine was investigated by low-temperature matrix-isolation infrared (IR) spectroscopy with an aid of the density-functional-theory (OFF) calculation. Shorter-wavelength irradiation, lambda > 240 nm, caused the elimination of a hydrogen atom in the amino group, resulting in the production of two kinds of amino radicals: One immediately changed to an imine isomer by migration of the eliminated hydrogen atom to a nitrogen atom in the pyrimidine ring, while the other stayed unreacted in the matrix for a long time. The imine returned to the original reactant, 9-methyladenine, by longer-wavelength irradiation, lambda > 270 nm. The conformations of the unreacted radical and the imine were determined by comparison of the observed IR spectra with the spectral patterns obtained by DFT calculations. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：29 / 34

页数：6

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