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Calculated Infrared, Raman, and Rayleigh Properties of the CO(3) Molecule
1Instituto de Física, Universidade Federal de Goiás, CP 131, Goiânia, GO, 74001-970, Brazil
Journal of Molecular Spectroscopy
|July 6, 2000
Abstract:
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.