Least squares calculations of electro-optical parameters from infrared intensities of CH4 and C2H6 and their deuterated derivatives

Abstract

In the frame of electro-optical theory of valence, bond parameters called ’’electro-optical parameters’’ are shown to be able to represent the electrical properties of the same groups of atoms in a different, though chemically similar, environment. In this paper, a set of electro-optical parameters derived from least squares fittings of the infrared intensities of methane, ethane, and deuteroderivatives is shown satisfactorily to account simultaneously for all the experimental intensity data available for these molecules.