V. I. Berezin

Calculation and interpretation of vibrational spectra of monomethyl-substituted pyridines

A calculation of the fundamental frequencies of antisymmetric vibrations of α-, β-, and γ-picolines and γ-picoline-D7 is made. The calculated values show good agreement with experimental vibrational-spectral data. The effect of methyl substitution on the nonplanar-vibration frequency of pyridine is explained.

Calculation of the Stokes-component amplification with bias illumination in the anti-Stokes region

The effect of Raman absorption in the anti-Stokes region on Stakes-component Raman scattering is discussed for the case of stimulated Raman scattering. It is shown that the Raman interaction leads to a significant amplification of the Stokes-component radiation and that the anti-Stokes radiation converts into Stokes radiation in proportion to the ratio ωs/ωas.

Comparison of MO LCAO and free-electron results for the π-spectra of azacyclic compounds

Energy levels and π-electron transition energies have been calculated by the free-electron method for pyrazine, pyrimidine, pyridazine, s-triazine, and s-tetrazine. Allowance is made for the inductive effects of the N atoms by the introduction of additional potential wells at the sites of the N atoms. The results are compared with those from MO LCAO calculations.