Quasi general harmonic force field and mode anharmonicity of the hypophosphite ion normal vibrations

Abstract

A recent unambiguous assignment of the vibrational fundamentals of three isotopic species of the hypophosphite ion is used to obtain the quasi general harmonic force field. For the a 1 species the dynamical high-frequency separation hypothesis is admitted. The “mode anharmonicity” constants of the normal vibrations are calculated. Symmetry and valence force constants, based on both experimental and harmonised frequencies, are determined. Potential energy distribution, Cartesian normal mode projections and mean amplitudes of vibrations are obtained. The relation between stretching frequencies and the valence angles are discussed.