VIBRATIONAL SPECTRA OF C80 AND ITS EPOXIDE (C80-O): A LIE ALGEBRAIC STUDY

Abstract

The U(2) algebra is used to calculate the vibrational energy levels of the fullerene C80 and its epoxide (C80-O) while taking the local Hamiltonian of Morse potential into account. Here, a corresponding Lie algebra is used to replace each of the molecule's chemical bonds, and the Hamiltonian is then written while taking the interacting Casimir and Majorana operators into account. In order to fit the findings of the semi-empirical PM3 molecular modelling technique, we computed the local mode vibrational energy levels of the fullerene C80 and its epoxide (C80-O) by building the model Hamiltonian