HIGH RESOLUTION INFRARED SPECTROSCOPY AND ANALYSIS OF METHYLISOCYANIDE BANDS IN THE $1370-1560 cm^{-1}$ REGION

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1994

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Ohio State University

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The region 1370−1560cm−1 contains two fundamental bands, the strong perpendicular band of the doubly degenerate ν6(species E) and the parallel band of the totally symmetric (A1) vibration nu3. In addition, the ν7+ν8 and ν4+2ν8 combination states also occur in this region. The two fundamentals interact strongly by a first order Jx,y,-Coriolis coupling while the E component of ν7+ν8 is in Fermi resonance with ν6, and the A1 and A2 components of ν7+ν8 are in Fermi resonance with the nu3 fundamental. Also in evidence are an additional weaker anharmonic resonance of ν6 with the ν4+2ν82 combination, as well as x,y - Coriolis-type and second-order rotational interactions which couple the various states. The interactions are incorporated into a 9×9 Hamiltonian matrix used for the upper states to adjust their spectroscopic constants yielding an overall standard deviation of the fit to all observed lined of 0.0015cm−1. Spectroscopic parameters for all the states involved and for their interactions will be reported.

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Author Institution: Department of Chemistry, The Pennsylvania State University; Department of Physics, The Pennsylvania State University; Department of Chemistry, The Pennsylvania State University; Department of Chemistry, The Pennsylvania State University

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