Tentatively standardized symmetry coordinates for vibrations of polyatomic molecules

Abstract

This is the first part of a work of systematic studies of molecular vibrations of various models. Some conventions are proposed as to the orientations of cartesian axes and degenerate symmetry coordinates, in addition to already existing (but not universally adopted) conventions. Symmetry coordinates are specified in the present part for a number of three-atomic and four-atomic molecular models. The corresponding symmetrized G and Cα matrix elements have been worked out and are available on request to one of the authors (S. J. C.).