Donor-acceptor conjugated molecules with efficient light induced properties represent interesting material for electronic device application. In this context, we have calculated excited state dipole moment of three ethenyl thiophenes (1-3) bearing varied electron donor-acceptor substituent in p-phenyl unit using Lippert-Mataga, Bakhshiev and Kawski method. It is found that 1 with strong electron-withdrawing nitro substituent, is exhibiting charge transfer and highly dipolar excited state as compared to 2 and 3. Photochemical studies of 1-3, indicate towards the charge transfer dependence trans-cis photoisomerization under direct irradiation condition. Compound 1 exhibits charge transfer and less efficient towards photoisomerization, whereas 2 and 3 undergo efficient photoisomerization. Graphical Abstract Substituent dependence charge transfer and photochemical properties of donor-acceptor substituted ethenyl thiophenes.
Keywords: Absorption; Charge transfer; Dipole moment; Fluorescence; Fluorescence quantum yield; Photoisomerization; Photoisomerization quantum yield.