Studies on the Electronic Absorption Spectra of 2,2'-Bithienyl and Some of Its Derivatives. A Molecular Orbital Treatment

Article abstract of DOI:10.1246/bcsj.58.2126

The electronic absorption spectra of 2,2'-bithienyl and a number of its derivatives have been investigated.The predominant conformer as well as the polarity of the molecule were predicted from the spectrum.Molecular orbital calculations were performed on different conformers of 5-formyl-2,2'-bithienyl and the s-trans geometry proved to be the predominant conformer of the molecule.A good agreement is observed between calculated and observed transition energy and intensity.