Calculated Infrared, Raman, and Rayleigh Properties of the CO(3) Molecule |
| |
Authors: | Abreu Castro Costa Canuto |
| |
Institution: | Instituto de Física, Universidade Federal de Goiás, CP 131, Goiania, GO, 74001-970, Brazil |
| |
Abstract: | Properties associated with the infrared, Rayleigh, and Raman spectra of the CO(3) molecule are calculated by the Hartree-Fock and M?ller-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. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|