Dynamic theory of vibronic spectra of charge transfer excitons

被引:11
作者
Lalov, IJ
Supritz, C
Reineker, P
机构
[1] Univ Ulm, Theoret Phys Abt, D-89069 Ulm, Germany
[2] Univ Sofia, Fac Phys, Sofia 1164, Bulgaria
关键词
charge transfer exciton; vibronic spectra; donor and acceptor molecules; exciton-phonon coupling;
D O I
10.1016/j.chemphys.2004.09.011
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 vibronic spectra of charge transfer excitons (CTE) in a molecular chain are treated in the framework of a dynamic approach (which neglects the thermal excitation of the excitons and of the intramolecular vibration). The model includes two mechanisms of coupling between CTEs and vibrational quanta, generalizes in this way the simple CTE Hamiltonian as well as the vibronic Hamiltonian of Frenkel excitons and allows to study the vibronics of CTEs. The linear optical susceptibility is calculated in the vibronic regime (one CTE plus one vibrational quantum). A double splitting of the vibronics of CTEs is established: (1) a splitting connected with the location of the intramolecular vibration on donors or on acceptors and (2) a splitting connected with the symmetry of the vibronic states (in the degenerate case, realized in the absence of an external electric field). The investigation of the general structure of the vibronic spectra of CTEs, which includes two-particle bands and bound CTE-phonon states, allows to model the optical absorption spectra in two cases: (1) without proper transfer of a vibrational quantum between neighboring molecules and (2) with transfer of a vibrational quantum between donor and acceptor molecules. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码:189 / 199
页数:11
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