Vibronic coupling in organic semiconductors: the case of fused polycyclic benzene-thiophene structures.
The nature of vibronic coupling in fused polycyclic benzene-thiophene structures has been studied using an approach that combines high-resolution gas-phase photoelectron spectroscopy measurements with first-principles quantum-mechanical calculations. The results indicate that in general the electron-vibrational coupling is stronger than the hole-vibrational coupling. In acenedithiophenes, the main contributions to the hole-vibrational coupling arise from medium- and high-frequency vibrations. In thienobisbenzothiophenes, however, the interaction of holes with low-frequency vibrations becomes significant and is larger than the corresponding electron-vibrational interaction. This finding is in striking contrast with the characteristic pattern in oligoacenes and acenedithiophenes in which the low-frequency vibrations contribute substantially only to the electron-vibrational coupling. The impact of isomerism has been studied as well.
Coropceanu
Veaceslav
V
School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA. veaceslav.coropceanu@chemistry.gatech.edu
Kwon
Ohyun
O
Wex
Brigitte
B
Kaafarani
Bilal R
BR
Gruhn
Nadine E
NE
Durivage
Jason C
JC
Neckers
Douglas C
DC
Brédas
Jean-Luc
JL