MICROWAVE SPECTRA AND MOLECULAR STRUCTURE OF 1,1,2,2-TETRAFLUOROCYCLOPROPANE
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Date
1986
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Ohio State University
Abstract
The microwave spectrum of 1,1, 2,2-tetrafluorocyclopropane was investigated in the region of 26.5 to 40.0 GHz. Assignments of the $\mu_{c}$ type R-branch transitions were made for the monodeuterated isotopic species and two lowest excited vibrational states of the dideuterated isotopic species, as well as the carbon-13 isotopic species: $^{13}CF_{2}CF_{2}CH_{2}, CF_{2}CF_{2}CH_{2}, CF_{2}CF_{2}^{13}CD_{2},$ Transition frequencies were determined in R-band for the following previously assigned species: $CH_{2}CF_{2}CH_{2}, CF_{2}CF_{2}CD_{2}, ^{13}CF_{2}CF_{2}^{13}CD_{2},$ The data enable the calculation of a complete molecular structure in the $d_{0}$ and $d_{2}$ isotopic species framework. The structural parameters calculated in the $d_{0}$ frame are: $\begin{array}{lllllllllll}r(C_{1}C_{2})&=&1.471(3){\AA} &r(C_{1}C_{3})&=&1.497(10){\AA}&r(C_{1}F)&=&1.344(4){\AA}\\r(C_{3}H)&=&1.088(5){\AA} &\Theta(FC_{1}F)&=&109.9(4)\circ&\Theta(HC_{3}H)&=&118.0(4)\circ \end{array}$ The structure obtained will be discussed in the context of experimental and theoretical studies of similar systems.
Description
$^{1}$ V. W. Laurie, W. M. Stigliani, Paper TF5, 30th Symposium on Molecular Spectroscopy, Columbus, Ohio (1975) Address of Craig: Department of Chemistry, Oberlin College, Oberlin, Ohio 44074. Address of Beauchamp and Gillies: Department of Chemistry, Rensselaer Polytechnic Institute, Troy, New York 12180.
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