Conformer-dependent electronic coupling for long-range triplet energy transfer in donor-bridge-acceptor porphyrin dimers

被引：29

作者：

Kyrychenko, A

Albinsson, B ^{[1
]}

机构：

[1] Chalmers Univ Technol, Dept Phys Chem, SE-41296 Gothenburg, Sweden

[2] Kharkov AM Gorkii State Univ, Chem Res Inst, UA-310077 Kharkov, Ukraine

来源：

CHEMICAL PHYSICS LETTERS | 2002年 / 366卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(02)01558-0

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 electronic coupling for triplet energy transfer is calculated by time-dependent density functional theory (TDDFT) for a set of tri-chromophoric systems based on a zinc(II) porphyrin donor and the corresponding free base acceptor covalently connected by different hydrocarbon bridging chromophores. The calculated electronic coupling, for systems with identical donor acceptor distances, is sensitive to the bridge electronic structure and shows a significant dependence for the bridge and donor-bridge conformations. The computational results compare quantitatively to measurements of triplet energy transfer rates in the corresponding donor-bridge-acceptor systems. (C) 2002 Elsevier Science B.V. All rights reserved.

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页码：291 / 299

页数：9

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