The effective vibration-rotation hamiltonian for triply-degenerate fundamentals of tetrahedral XY4molecules
- 1 December 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 32 (6) , 1591-1607
- https://doi.org/10.1080/00268977600102931
Abstract
The effective vibration-rotation hamiltonian for the first excited state of a triply-degenerate vibration in a tetrahedral XY4 molecule is considered, and the principles involved in formulating totally symmetric operators for use in the hamiltonian are reviewed. Explicit expressions are given for all such operators up to fourth order in the Amat-Nielsen ordering scheme. A new systematic notation is proposed for the operators and their coefficients, and the hamiltonian is compared to those derived previously. Two commonly used sets of basis functions appropriate to this problem are discussed, and the infra-red and Raman selection rules in these basis functions are stated.Keywords
This publication has 39 references indexed in Scilit:
- Sextic centrifugal distortion of tetrahedral moleculesJournal of Molecular Spectroscopy, 1973
- Forbidden rotational spectra of polyatomic moleculesJournal of Molecular Spectroscopy, 1972
- Expression tensorielle de l'hamiltonien de vibration-rotation des molécules à symétrie tétraédriqueJournal de Physique, 1970
- Higher-Order Rotation-Vibration Energies of Polyatomic Molecules. VThe Journal of Chemical Physics, 1962
- Vibration-rotation interactions in infrared active overtone levels of spherical top molecules; 2ν3 and 2ν4 of CH4, 2ν3 of CD4Journal of Molecular Spectroscopy, 1962
- The vibration-rotation energies of tetrahedral XY4 moleculesJournal of Molecular Spectroscopy, 1961
- The rotational structure of the fundamental infrared bands of methane-type moleculesJournal of Molecular Spectroscopy, 1961
- The Vibration-Rotation Energies of MoleculesReviews of Modern Physics, 1951
- A new Coriolis perturbation in the methane spectrum III. Intensities and optical spectrumProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1939
- A new Coriolis perturbation in the methane spectrum I. Vibrational-rotational Hamiltonian and wave functionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1938