Vibrational Spectroscopy of CH/CD Stretches in Propadiene: An Algebraic Approach

Abstract

Using Hamiltonian based on Lie algebraic method, the stretching vibrational modes of C3H4 and C3D4 molecules are calculated up to higher overtones. The model appears to describe C–H and C–D stretching modes with less number of parameters. The locality parameter & confirms the highly local behaviour of the stretching modes of these molecules.