Calculated rJ2-type effective dipole moment parameters for fundamental bands of tetrahedral XY4 molecules

1991

Abstract Formulas in terms of basic molecular constants are presented for effective dipole moment parameters which are responsible for second-order corrections to the line intensities of fundamental bands of tetrahedral XY 4 molecules. Two cases have been considered. In the first case all bands were considered as separate bands. In the second case the ν 2 and ν 4 bands were considered as interacting bands. The influence of effective Hamiltonian transformations on effective dipole moment parameters has been studied. Numerical calculations of effective dipole moment parameters for the ν 2 and ν 4 bands of 12 CH 4 have been performed. There is reasonable agreement between calculated and fitted…