The overtone spectrum of acetylene - A rotational analysis based on a local model description

Details The overtone spectrum of acetylene - A rotational analysis based on a local model description The overtone spectrum of acetylene - A rotational analysis based on a local model description

Oct 1982

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1982jchph..77.3295h&link_type=abstract

Journal of Chemical Physics, vol. 77, Oct. 1, 1982, p. 3295-3300. Research supported by the Petroleum Research Fund and Natural

Physics

Chemical Physics

15

Acetylene, Carbon Stars, Molecular Rotation, Stellar Spectra, Vibrational Spectra, Hamiltonian Functions, Harmonic Oscillation, Molecular Clouds, Molecular Interactions, Molecular Oscillations, Molecular Spectra, Spectrum Analysis, Stellar Atmospheres, Stellar Spectrophotometry

Scientific paper

Acetylene is expected to be an important constituent of carbon stars, and a knowledge of the precise energy values of the vibration-rotation states of this compound is of paramount importance for an understanding of the processes occurring in the stellar atmosphere and interstellar clouds. Difficulties encountered in traditional analyses provide an indication that local mode, rather than normal mode, force fields may determine the vibration-rotation interactions in acetylene. The local mode nature of the CH-stretching overtones of C2H2 has been outlined by Hayward and Henry (1976). The present investigation is concerned with an extension of the previous local mode treatment to make it possible to interpret the rotational structure of the CH-stretching overtone spectrum of acetylene. Attention is given to the development of a Hamiltonian based on the local mode model, which takes into account nonrigidity and the resultant effects on rotation-vibration interaction. It is shown that this Hamiltonian can account for the general features in the rotationally resolved CH-stretching overtone spectrum.

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