Electron-molecular vibration coupling in charge-transfer crystalline complexes

Abstract

Analysis of the effect of the electron-molecular vibration (EMV) coupling on the conductivity spectra of charge-transfer crystalline complexes is presented. Discussion is limited to the case of n-merized compounds, for which the localized electronic states should be treated explicitly. Theoretical conductivity spectra based on the linear response and vibronic adiabatic Mulliken theories are compared with the experimental data. An alternative derivation of the linear response conductivity expression is presented. In addition, a simple method of calculation of the EMV coupling constants is proposed.