Electronic structure of terthiophene conformers: theoretical and experimental studies

Electronic structure of the ground and excited states of terthiophene was s tudied theoretically by means of density functional theory(DFT). In particu lar, investigations are focused on conformational dependence of ground stat e-excited state excitation energies and localisation of appropriate states. We found that non-planar conformation of terthiophene induces localisation of the ground state and the singlet excited state.