BITHIOPHENE RADICAL-CATION - RESONANCE RAMAN-SPECTROSCOPY AND MOLECULAR-ORBITAL CALCULATIONS

The resonance Raman spectrum of the photogenerated radical cation of b ithiophene is reported. The bithiophene radical cation was produced vi a a photoinduced electron transfer reaction between excited bithiophen e and the electron acceptor fumaronitrile in a room temperature aceton itrile solution and the Raman spectrum excited in resonance with the a bsorption band at 425 nm. The spectrum was interpreted with the help o f density functional theory calculations. (C) 1998 Elsevier Science B. V.