ROVIBRATIONAL ANALYSIS OF THE CH STRETCHING OF METHYL ISOCYANIDE

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1992

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Ohio State University

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Abstract

The symmetric stretching of the methyl group (v1) of CH3NC has been recorded using a Fourier Transform Spectrometer with an unapodized resolution of 0.004cm−1. The rotational structure has been revealed for the first time, and the molecular constants have been obtained. Over 400 spectral lines have been assigned to the P- and R-transitions of this parallel band with K=0 to K=6 and J=40. The rotational structure of the v1 is quite different from a typical parallel band (e.g., v4 of CH3NC because of the small Δ(B) and large Δ(A-B) values, giving rise to an intermingling of spectral lines belonging to different J-multiplets. In addition, all of the K-subbands have been observed to he strongly perturbed. The structure analysis, spectral assignment, and perturbation origin will be discussed in this presentation.""

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Author Institution: Department of Chemistry, Penn State University; Department of Physics, Penn state University

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