Vibrational spectra of linear triatomic molecules in the vibron model

Abstract

We report results of calculations of five linear triatomic molecules, N2O, C12O2, C13O2, OCS, and HCN, with average r.m.s. deviations of 1–5 cm−1 within the framework of the vibron model. The corresponding algebraic force field constants are derived. Calculations of intensities of stretching vibrations in CO2 and HCN are also presented.