The Vibration-Rotation Mechanics of the Allene Molecule. Part I. Classical Vibration Problem

Abstract

Symmetry coordinates are set up from the standpoint of group theory for describing the normal modes of oscillation of the allene molecular model in such a manner that maximum factorization of the secular determinant is accomplished. The cubic and quartic portions of the anharmonic potential function are derived, and the components of vibrational angular momentum are set down. The complete valence‐type potential function is discussed. Explicit relations are derived between the force constants occurring in the secular determinant and the physical valence force constants.