Charge migration in different conformers of glycine: The role of nuclear geometry

被引：100

作者：

Kuleff, Alexander I. ^{[1
]}

Cederbaum, Lorenz S. ^{[1
]}

机构：

[1] Heidelberg Univ, PCI, D-69120 Heidelberg, Germany

来源：

CHEMICAL PHYSICS | 2007年 / 338卷 / 2-3期

关键词：

ultrafast charge migration; glycine conformers; ionization spectra;

D O I：

10.1016/j.chemphys.2007.04.012

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 migration of hole charge created via ionization of the main conformers of the gaseous amino acid glycine is studied. The migration is ultrafast and is mediated solely by many-electron effects, i.e. electronic correlation and relaxation. The influence of the nuclear geometry is investigated by studying the three most abundant conformers of glycine. It is shown that the electron dynamics following ionization can be dramatically different for the different conformers. To facilitate the discussion of the charge migration, the ionization spectra of the conformers are computed as well. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：320 / 328

页数：9

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