Photostability of electronically excited polyacenes: A case study of vibronic coupling in the naphthalene radical cation

被引：15

作者：

Reddy, V. Sivaranjana ^{[1
]}

Mahapatra, S. ^{[1
]}

机构：

[1] Univ Hyderabad, Sch Chem, Hyderabad 500046, Andhra Pradesh, India

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 128卷 / 09期

关键词：

D O I：

10.1063/1.2885727

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：

Novel issues of electronic nonadiabatic coupling in the excited state dynamics of prototypical naphthalene radical cation of polycyclic aromatic hydrocarbon of the polyacene family are theoretically investigated. A benchmark ab initio quantum dynamical study is performed and its complex vibronic spectra and nonradiative decay are examined. The findings are in very good accord with the experiment, unambiguously establishing the crucial role of intricate electron-nuclear coupling in the photoinduced dynamical processes of this system. (c) 2008 American Institute of Physics.

引用

页数：4

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