THE MICROWAVE SPECTRUM OF CHLOROALLENE
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Date
1960
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Ohio State University
Abstract
“The microwave spectrum of chloroallene has been investigated in the X-band region. The spectroscopic parameters obtained from the zero -order frequencies are $b = 2850.43, c=2665.20$; and $b = 2788.59, c- = 2609.74$, all in Mc/sec, for the $Cl^{36}$ and $Cl^{37}$ species, respectively. Using additional assumptions based on allene, the following set of structural parameters was found to be in good agreement with the experimental moments of inertia: $d(C_{1}C_{2}) =d(C_{2}C_{3}) = 1.309$ A. $d(C_{a}Cl)=1.736$ A and / $C_{2}C_{3}Cl= 122.2^\circ$. The quadrupole coupling constants for $Cl^{35}$ and $Cl^{37}$ respectively, are; ($eqQ)_{aa}= -41.5$, $(eq Q)_{bb}=35.3$; and $(eq Q)_{aa}=-32.8, (eq Q)_{bb}=28.3$, all in Me/sec. Calculations based on the above structure indicate that $\pi$-electron transfer is comparable to that in vinyl chloride, but that $C-Cl$ bond asymmetry appears to he somewhat lower.”
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Author Institution: Departments of Physics and Chemistry, Emory University