The Vibrational Spectra of Monomer and Dimer of Benzene: An Algebraic Approach

Abstract

In this article, we calculate the different fundamental modes of benzene monomer and dimers using the algebraic method by considering the symmetry and Wilson numbering. The model Hamiltonian constructed describes the C‒C and C‒H stretching modes accurately with only four numbers of algebraic parameters. The present calculation not only predicts the different fundamental modes but also shows good agreement with the few observed DFT data.

Key Words:

• benzene monomer and dimers
• Lie algebra
• vibrational spectra