Anharmonic spectra of methanol and silanol: A comparative study

Anharmonic vibrational spectra of methanol and silanol as well as of some of their deuterated isotopomers are analysed using the vibrational self-consistent field approximation corrected by second order perturbation theory (cc-VSCF). Experimental frequencies in the case of methanol and its isotopomers are in general reproduced and anharmonic effects in their vibrational spectra are suitably explained. The similar species containing Si, i.e., silanol, is very unstable. Experimental data about its vibrational spectra are rare in the literature and the only theoretical data available come from the harmonic approach. Thus, to predict further anharmonic effects in its vibrational spectra, we extend our results on methanol to the silanol molecule.