The calculation of force constants and normal coordinates IV: XH4 and XH3 molecules

Duncan, J. L. and Mills, I. (1964) The calculation of force constants and normal coordinates IV: XH4 and XH3 molecules. Spectrochimica Acta, 20 (3). pp. 523-546. ISSN 0371-1951 doi: 10.1016/0371-1951(64)80047-3

Abstract/Summary

Normal coordinate calculations of XH4 and XH3 molecules are reviewed and discussed. It is shown that for most of these molecules the true values of the force constants in the most General Harmonic Force Field can be uniquely determined only by making use of vibration-rotation interaction constants. It is emphasized that without these extra data the GFF is not determined. The results are compared with various model force fields for these molecules.