Hole- and electron-vibrational couplings in oligoacene crystals: intramolecular contributions.
The hole-vibrational coupling is reported for anthracene, tetracene, and pentacene on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. The hole-vibrational coupling is found to be significantly smaller than the electron-vibrational coupling in the case of these oligomers; however, both quantities are predicted to converge to the same value when increasing the chain length.
Coropceanu
V
V
Department of Chemistry, The University of Arizona, Tucson, AZ 85721-0041, USA.
Malagoli
M
M
da Silva Filho
D A
DA
Gruhn
N E
NE
Bill
T G
TG
Brédas
J L
JL