THE VIBRATIONAL SPECTRUM OF $CH_{3}C \equiv CC \equiv N$.
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Date
1965
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Ohio State University
Abstract
The vapor phase infrared spectrum of tetrolonitrile, $CH_{3}C \equiv CC \equiv N$, has been observed from 4000 to $400 cm^{-1}$. This molecule is a symmetric top with $C_{3v}$ symmetry. Four of the six $A_{1}$ fundamentals are observed as parallel bands at $2941, 2338, 2274$ and about $1385 cm^{-1}$, and four of the six E fundamentals appear as perpendicular bands at 2988, 1445, 1029 and $500 cm^{-1}$. The two bands at 2338 and $2274 cm^{-1}$ are of equal intensity and indicate a high degree of mixing in the nitrile and acetylenic stretching vibrations. Coriolis coupling constants that could be measured are $\zeta_{7} = 0.07, \zeta_{8}= -0.31$ and $\zeta_{9}=0.43$. This work was performed under the auspices of the U.S. Atomic Energy Commission.
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Author Institution: Lawrence Radiation Laboratory, University of California