Magnetic Circular Dichroism and Molecular Orbital Studies on Condensed Thiadiazoles

Abstract

Magnetic circular dichroism (MCD) spectra of some thiadiazoles have revealed the characteristic π → π* transitions in cata-condensed thiadiazoles. Within the framework of the PPP method quantum mechanical calculations have been carried out in order to give a reasonable explanation for the MCD spectra, resulting in a fairly good agreement between the experimental and theoretical Faraday parameters