Berlin 2005 – scientific programme
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CPP: Chemische Physik und Polymerphysik
CPP 29: POSTER: Polymer physics
CPP 29.55: Poster
Tuesday, March 8, 2005, 16:30–18:30, Poster TU D
Dynamic Theory of Vibronic Spectra of Charge Transfer Excitons — •Ivan J. Lalov1, Christoph Supritz2, and Peter Reineker2 — 1Faculty of Physics, Sofia University, Sofia 1164, Bulgaria — 2University of Ulm, Department of Theoretical Physics, 89069 Ulm
The vibronic spectra of Charge Transfer Excitons (CTE) in a molecular one-component or alternatively ordered two-component chain are treated in the framework of dynamic approach. The model introduces two mechanisms of coupling between CTEs and vibrational quanta: 1) the shift of equilibrium positions of nuclei in ionized donor or acceptor; 2) the change of the vibrational frequency in the ionized molecule. This model allows to generalize the simple CTEs Hamiltonian and the vibronic Hamiltonian of Frenkel excitons. The linear optical susceptibility is calculated in the vibronic region (one CTE + one vibrational quantum). The double splitting of vibronics of CTEs was analyzed: a) the splitting connected with the location of the intramolecular vibration - on the donors or on the acceptors; b) the splitting connected with the symmetry of the vibronic spectra (in degenerate case). The general structure of the vibronic spectra of CTE is established. It contains structureless absorption lines, which correspond to two-particle bands and Lorentz-type lines of one-particle states, which correspond to bound propagation of the CTE and phonon.