electron density;
excitation spectra calculations;
optical absorption and emission spectroscopy;
D O I:
10.1016/S0379-6779(98)00953-9
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
The influence of exciton coupling on the optical properties of oligothiophenes is studied by means of optical and circular dichroism (CD) spectroscopy. The CD spectrum of a model compound, formed by two terthienyl chromophores arranged in a chiral orientation, displays two bands with opposite signs that can be related to the two Davydov components of the first optical transition. From correlated quantum-chemical calculations, the Davydov splitting is estimated to be on the order of 0.15-0.2 eV.