Theoretical research of the electronic absorption spectrum of fullerene clusters from C 20 to C 100 using semi-empirical methods

Abstract

This article provides an overview of the theoretical studies of electronic spectra and transitions in fullerene
molecules of various sizes with maximum symmetry. Some correlations were made between the size of the fullerene clusters
and the energy of the molecule, as well as between the transition wavelength and the dipole moment of the molecule. For the
most stable clusters (C 20 and C 60 ), correspondences of electronic transition lines and unreduced representations of clusters
data groups were performed. For clusters with C 20 and C 60 , the highest symmetry is characteristic, which makes them more
stable. For research, semi-empirical calculation methods were used, namely the PM6 method.
Some regularities are demonstrated between the value of the dipole moment, energy, and the position of the electron transition
line in a cluster. There is a high peak at the cluster with eighty atoms and twenty atoms.