Coherent Excitation Transfer Driven by Torsional Dynamics: a Model Hamiltonian for PPV Type Systems

被引：17

作者：

Sterpone, Fabio ^{[1
]}

Martinazzo, Rocco ^{[2
]}

Panda, Aditya N. ^{[3
]}

Burghardt, Irene ^{[3
]}

机构：

[1] Inst Biol Physicochim, F-75005 Paris, France

[2] Univ Milan, Dipartimento Chim Fis & Elettrochim, I-20133 Milan, Italy

[3] Ecole Normale Super, Dept Chim, F-75005 Paris, France

来源：

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 2011年 / 225卷 / 05期

关键词：

Excitation Energy Transfer; Excitons; Semiconducting Polymers; Quantum Dynamics; Quantum Coherence; CONJUGATED POLYMERS; CONFORMATIONAL DISORDER; OLIGOMERS; EXCITONS; DEFECTS; PHASE;

D O I：

10.1524/zpch.2011.0117

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：

A model Hamiltonian is proposed for systems of poly-phenylene-vinylene (PPV) type, which describes excitation energy transfer (EET) in the presence of torsional and bond-length-alternation coordinates that couple neighboring fragments. This model is employed to describe coherent EET, starting from a partially delocalized exciton state which is initially separated from the rest of the chain by a defect due to a pronounced torsional displacement at one of the inter-fragment junctions. EET is found to be driven by the restoring force of the torsions towards the planar geometry. Quantum dynamical calculations are carried out for a minimal five-site model, using the multiconfiguration time-dependent Hartree (MCTDH) method.

引用

页码：541 / 551

页数：11

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