期刊
CHEMICAL PHYSICS LETTERS
卷 379, 期 3-4, 页码 351-358出版社
ELSEVIER
DOI: 10.1016/j.cplett.2003.08.052
关键词
-
The ultrafast internal conversion and isomerization dynamics of nonadiabatic cis --> trans photoreactions are studied. The isomerizing molecule is described by a two-mode two-state model, which involves either an avoided crossing (AC) or a conical intersection (Cl, the 'funnel') of the potential-energy surfaces. To account for the localization in the cis and trans configuration due to vibrational cooling of the photoproducts, the system is coupled to a harmonic bath via Redfield theory. Although the two models are - except for the topology of the crossing surface - identical, the Cl model isomerizes about an order of magnitude faster than the AC model. This high reaction speed and efficiency of the photochemical funnel is caused by a subtle interplay of the highly localized nonadiabatic coupling of the Cl and the dissipative dynamics of the molecular system. (C) 2003 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据