The overtone spectrum of acetylene: A rotational analysis based on a local model description
- 1 October 1982
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 77 (7) , 3295-3300
- https://doi.org/10.1063/1.444298
Abstract
The local mode model is extended to account for the rotational structure in the CH-stretching overtone spectrum of acetylene from ΔvCH = 2 to 5. A local mode Hamiltonian, which includes nonrigidity and the resultant effects of rotation–vibration interaction, is derived and used as the basis for the analysis. The analysis indicates a strong interaction between CH bending and stretching which decreases as vCH increases. The change in equilibrium CH bond length with increasing vCH is obtained and an interesting anomaly at ΔvCH = 5 is identified.Keywords
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