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

页码：59 / 69

页数：11

共 67 条

[1] Bally T, 1999, REV COMP CH, V13, P1, DOI 10.1002/9780470125908.ch1
[2] Balzani V, 2001, ELECT TRANSFER CHEM, VI-V
[3] Contemporary issues in electron transfer research
Barbara, PF
Meyer, TJ
Ratner, MA
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (31) : 13148 - 13168
[4] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
BECKE, AD
[J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
[5] New triarylamine-containing polymers as hole transport materials in organic light-emitting diodes: Effect of polymer structure and cross-linking on device characteristics
Bellmann, E
Shaheen, SE
Thayumanavan, S
Barlow, S
Grubbs, RH
Marder, SR
Kippelen, B
Peyghambarian, N
[J]. CHEMISTRY OF MATERIALS, 1998, 10 (06) : 1668 - 1676
[6] Organic two-layer light-emitting diodes based on high-Tg hole-transporting polymers with different redox potentials
Bellmann, E
Shaheen, SE
Grubbs, RH
Marder, SR
Kippelen, B
Peyghambarian, N
[J]. CHEMISTRY OF MATERIALS, 1999, 11 (02) : 399 - 407
[7] Bersuker I., 1992, ADV CHEM PHYS, V81, P703
[8] BIXON M, 1999, ELECT TRANSFER ISOLA, V106
[9] POLARONS, BIPOLARONS, AND SOLITONS IN CONDUCTING POLYMERS
BREDAS, JL
STREET, GB
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1985, 18 (10) : 309 - 315
[10] Optical transitions of symmetrical mixed-valence systems in the Class II-III transition regime
Brunschwig, BS
Creutz, C
Sutin, N
[J]. CHEMICAL SOCIETY REVIEWS, 2002, 31 (03) : 168 - 184

← 1 2 3 4 5 6 7 →