MICROWAVE SPECTRUM OF BIS-TRIFLUOROMETHYL NITROXIDE
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Date
1987
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Ohio State University
Abstract
The high resolution microwave spectrum of the stable radical bis-trifluoromethyl nitroxide, $(CF_{3})_{2}NO$, has been observed in the region from 18-26.5 GHz. The rotational constants determined by calculation of the hypothetical unsplit rotational transitions and use of the Kirchoff NBS fitting $program^{1}$ are: $A = 2256.94, B = 1056.08$, and $C = 971.51^{5} MHz$. Using the irreducible tensor technique to evaluate the nonvanishing matrix elements, the analysis of the hyperfine structure of 9 separate transitions yielded spin-rotation coupling constants of $E_{aa} = -35.98, E_{bb} = -11.21$, and $E_{cc} = 0.30 MHz$ and hyperfine interaction constants of $T_{aa} = -183.74, T_{bb} = -177.77, T_{cc} = 361.51$, and $a_{F} = 22.8 MHz$. A preliminary structural fit of the rotational constants shows that the bond lengths are close to those of similar compounds and indicates that the angle which measures the deviation of the 0 atom from the CNC plane is 0''. Details regarding the calculation of the hyperfine interaction and the structural parameters obtained will be discussed.
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$^{1}$ W.H. Kirchoff, J. Mol. Spectrosc. 41, 333 (1972). *Work supported by NASA Langley
Author Institution: Department of Chemistry, College of Saint Benedict; Department of Chemistry, Virginia Tech
Author Institution: Department of Chemistry, College of Saint Benedict; Department of Chemistry, Virginia Tech