Characteristic Normal Modes of Vibration and Generalized Normal Forces: Basic Properties and Relation to Fundamental Molecular Constants

Abstract

Abstract A survey is given of the simplified formulae for energy distributions, force constants, secular equations, Coriolis coupling constants, isotopic substitutions, compliances, mean amplitudes, bond moment and polarizability parameters, interaction coordinates and restoring forces in the cases where either a completely characteristic normal mode or a generalized normal force can be assumed. The obtained results may be of use for the following main purposes: (i) computation of quantities which can be employed in the assignment of spectra, band shapes, intensities ... (ii) evaluation of fundamental molecular constants and isotopic shifts which can be approximated with good accuracy. As illustration, the equations have been applied sucessfully to two-dimensional cases and to Molybdenum-hexacarbonyl.