Calculated Infrared, Raman, and Rayleigh Properties of the CO(3) Molecule.
Properties associated with the infrared, Rayleigh, and Raman spectra of the CO(3) molecule are calculated by the Hartree-Fock and Møller-Plesset perturbation theory methods. Vibrational frequencies and infrared activities are found to be in agreement with the experiment and previous calculations. The values obtained for the Raman spectrum show a very sensitive dependence to the treatment of electron correlation. The OCO wag normal mode, unobserved in the IR experiment, is predicted to have a very small Raman scattering activity. Copyright 2000 Academic Press.
Abreu
EP
Instituto de Física, Universidade Federal de Goiás, CP 131, Goiânia, GO, 74001-970, Brazil
Castro
MA
Costa
MF
Canuto
S