The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers

被引：69
|
作者：
Coropceanu, V
André, JM
Malagoli, M
Brédas, JL
机构：
[1] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
[2] Fac Univ Notre Dame Paix, Lab Chim Theor Appl, B-5000 Namur, Belgium
来源：
THEORETICAL CHEMISTRY ACCOUNTS | 2003年 / 110卷 / 02期
关键词：
electron transfer; charge transfer; mixed-valence compounds; vibronic interactions;
D O I：
10.1007/s00214-003-0445-3
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 importance of electron-vibrational coupling for intermolecular and intramolecular electron-transfer processes is discussed on the basis of first-principles correlated quantum-mechanical calculations and of a dynamic vibronic approach. The methodology is illustrated for examples selected from some of our recent work. In all instances, the theoretical results are thoroughly compared to experimental data.
引用
收藏
页码：59 / 69
页数：11
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