ROVIBRATIONAL ENERGY LEVELS FOR A TRIATOMIC MOLECULE

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1970

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Ohio State University

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Recently Hougen, Bunker and Johns1 derived an expression for the rovibrational Hamiltonian of a triatomic molecule allowing for a large amplitude bending vibration. We have used this Hamiltonian to compute the rovibrational energy levels of HCN in its first excited electronic state, in which it is bent. In order to have high precision experimental energy levels, several bands of the A--X system of HCN (1900 {\AA} to 1700 {\AA}) have been obtained under greater dispersion than previously used by Herzberg and Innes.7 Experimental and computational results will be discussed.

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1J. T. Hougen, P. R. Bunker and J. W. C. Johns, J. Mol. Spectrose. 34, 136 (1970). 2G. Herzberg and K. K. Innes, Can. J. Phys. 33, 812 (1957).""


Author Institution: Division of Physics, National Research Council of Canada

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