Cartesian Dynamics of Simple Molecules VI Centrosymmetric Linear Pentatomics

Abstract

A simple spring model for molecular vibrations, which uses Cartesian co-ordinates for both longitudinal and transverse displacements, is applied to centresymmetric linear pentatomic molecules such as carbon suboxide and carbon subsulphide. Analytical expressions for the four stretching and three bending mode frequencies are derived in terms of seven independent force constants. By substitution of Raman and infrared frequencies, values of these force constants are obtained and briefly discussed. Eigenvectors of the normal modes and eigenfrequencies of various isotopic species are also calculated.

Key Words:

• Molecular vibrations
• infrared spectroscopy
• Raman spectroscopy
• lattice dynamics