MICROWAVE SPECTRUM, STRUCTURE AND COMPLETE QUADRUPOLE COUPLING CONSTANT TENSOR OF ETHYL BROMIDE
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Date
1963
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Ohio State University
Abstract
“The complete $r_{s}$ structure of ethyl bromide has been determined by analysis of the microwave spectra of ten isotopic species in the region from 15 to 30 kMc. The structure is: CBr = 1.950 {\AA}, CC=1.518 {\AA}, $CCBr = 111^{\circ} 2’$, $CH (methylane)=1.087 {\AA}$, $HCH (methylane) = 109^{\circ} 54’,\;CCH(methylene) = 112^{\circ} 15’, HCBr = 105^{\circ} 25’$, $CH(methyl)=1.093 {\AA}$ and $HCH (methyl) = 108^{\circ} 52’$. The complete quadrupole coupling constant $(\chi)$ tensor has been determined for $CH_{2}CH_{2}^{79}BR$. The diagonal elements were determined by the analysis of ``first-order’’ quadrupole hyperfine effects in several Q- and R-branch transitions. The off-diagonal element was determined by analyzing ``second-order’’ splitting of the $2_{11} \rightarrow 3_{12}$ and $2_{02} \rightarrow 3_{03}$ transitions. Comparison of the diagonalized $\chi$ tensor $(\chi_{xx} = 541\;Mc,\;\chi_{xxx} = -267$ Mc, and $\chi_{yy} = -274$(Mc) and the structure leads to the conclusion that the charge distribution about the CBr bond is almost cylindrically symmetric and its axis of symmetry coincides with the $C-Br$ internuclear line.”
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Author Institution: Department of Chemistry, University of Notre Dame