HIGH RESOLUTION INFRARED SPECTROSCOPY AND ANALYSIS OF METHYLISOCYANIDE BANDS IN THE $1370-1560 cm^{-1}$ REGION
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Date
1994
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Publisher
Ohio State University
Abstract
The region $1370-1560 cm^{-1}$ contains two fundamental bands, the strong perpendicular band of the doubly degenerate $\nu_{6}$(species E) and the parallel band of the totally symmetric $(A_{1})$ vibration $nu_{3}$. In addition, the $\nu_{7} + \nu_{8}$ and $\nu_{4} + 2\nu_{8}$ combination states also occur in this region. The two fundamentals interact strongly by a first order $J_{x,y}$,-Coriolis coupling while the E component of $\nu_{7} + \nu_{8}$ is in Fermi resonance with $\nu_{6}$, and the $A_{1}$ and $A_{2}$ components of $\nu_{7}+\nu_{8}$ are in Fermi resonance with the $nu_{3}$ fundamental. Also in evidence are an additional weaker anharmonic resonance of $\nu_{6}$ with the $\nu_{4} + 2\nu_{8}^{2}$ combination, as well as x,y - Coriolis-type and second-order rotational interactions which couple the various states. The interactions are incorporated into a $9 \times 9$ 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 $0.0015 cm^{-1}$. Spectroscopic parameters for all the states involved and for their interactions will be reported.
Description
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