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
收藏
页码：541 / 551
页数：11
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