Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Abstract
The analysis of T1 resonance Raman spectra of some conjugated compounds is discussed making use of semiempirical quantum chemical calculations. Information obtained about T1 potential energy curve indicates that in short polyenes the perpendicular form is roughly degenerate with the trans isomer. Preliminary ab initio results on the T1 vibrational force field of these compounds are reported.
