MICROWAVE SPECTRA AND MOLECULAR STRUCTURE OF 1,1,2,2-TETRAFLUOROCYCLOPROPANE

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1986

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Ohio State University

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The microwave spectrum of 1,1, 2,2-tetrafluorocyclopropane was investigated in the region of 26.5 to 40.0 GHz. Assignments of the μc 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: 13CF2CF2CH2,CF2CF2CH2,CF2CF213CD2, Transition frequencies were determined in R-band for the following previously assigned species: CH2CF2CH2,CF2CF2CD2,13CF2CF213CD2, The data enable the calculation of a complete molecular structure in the d0 and d2 isotopic species framework. The structural parameters calculated in the d0 frame are: r(C1C2)=1.471(3)\AAr(C1C3)=1.497(10)\AAr(C1F)=1.344(4)\AAr(C3H)=1.088(5)\AAΘ(FC1F)=109.9(4)∘Θ(HC3H)=118.0(4)∘ The structure obtained will be discussed in the context of experimental and theoretical studies of similar systems.

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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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