The Infra-Red Spectra of Bent XYZ Molecules Part I. Vibration-Rotation Energies

Abstract

The rotation‐vibration Hamiltonian, complete to second order of approximation, is set up for the bent XYZ molecular model. The allowed energies are calculated and expressed in term‐value form, E=hc(G+F); the vibrational term G is given explicitly and the elements of the secular determinant are given for evaluation of the rotational term F. The valence‐force form of harmonic potential function is discussed for the bent XYY′ model and normal frequencies of HDO are calculated.