A study of the Raman spectrum of CO2 using an algebraic approach

Abstract

The vibrational Raman spectrum of CO2 is calculated by means of the alge- braic model U(2) × U(3) × U(2). The Hamiltonian and the molecular polariz- ability tensor operators are expanded in terms of symmetry coordinates, which in turn are transformed into the algebraic representation. The derivatives of the polarizability with respect to symmetry coordinates are fitted to six experimental transition intensities at room temperature and compared with previous experi- mental and ab initio values. The Raman spectrum of the Fermi diad at 1750 K is then simulated and compared with the experimental one. 2