VIBRATIONAL SPECTRA OF TETRAFLUOROOXIRANE $^{16}O$ AND $^{18}O$

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1988

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Ohio State University

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The Raman spectrum of tetrafluorooxirane-$^{16}O$ (tetrafluoroethylene oxide-16: TFEO-16) has been obtained at-$80^{\circ}C$. From this spectrum and a previous intrared $study^{1}$ we have developed a complete assignment of the vibrational fundamentals. These fundamentals in $cm^{-1}$ are: $(a_{1}) 1610, 1161,792,502,320; (a_{2}) 1240,516,234; (b_{1}) 1128, 776, 696, 528; (b_{2}) 1282. 558,186$. The newly available Raman spectrum led to revisions in the assignments for $\nu_{7}, \nu_{10}. \nu_{11}$, and $\nu_{12}$ and the replacement of estimates for $\nu_{6}$ and $\nu_{8}^{-1}$ The assignments for $\nu_{5}, \nu_{8}$, and $\nu_{12}$ are supported by values of 306(17). 226(17), and $182(23) cm^{-1}$. respectively, derived from vibrational satelletes in the microwave $spectrum.^{2}$ From the infrared and Raman spectra of TFEO-18 the fundamentals in $cm^{-1}$ are: $(a) 1607, 1136. 789,494,321; (a_{2}) 1240, 516. 234; (b_{1}) 1127, 777, 679.516; (b_{2}) 1282, 539, 185$. Because $\nu_{1}$ shifts very little with $^{18}O$ substitution, this mode is not 'ring breathing-1but is CC stretching presumably raised in frequency by mixing with CF stretching and bond strengthening due to the fluorine substituents. Other modes that depend significantly on $^{18}O$ substitution are $\nu_{2}$ (sym CO stretching), $\nu_{11}$ and $\nu_{12}$ (asym CO stretching), and $\nu_{14}$ (COC Rappping).

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$^{1}$ N. C. Craig. Spectrochim, Acta. 28A 1195(1972). $^{2}$ J. W. Agopovich. J. Alexander. C. W. Gillies. and T. T. Raw, J. Am. Chem. Soc.. 106,2250 (1984).
Author Institution: Department of Chemistry, Oberlin College

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