Infrared and Raman spectra of N,N-bis(trifluoromethyl)hydroxylamine and bis(trifluoromethyl) nitroxide

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DOIResolve DOI: http://doi.org/10.1021/j150621a018
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TypeArticle
Journal titleThe Journal of Physical Chemistry
ISSN0022-3654
Volume85
Issue21
Pages30933100; # of pages: 8
AbstractThe infrared and Raman spectra of N,N-bis(trifluoromethyl)hydroxylamine ((CF3)2NOH) and of bis(trifluoromethyl) nitroxide ((CF3)2NO·) have been recorded and vibrational assignments proposed. In the vapor phase (CF3)2NOH exists as a mixture of two conformers which have an enthalpy difference of ca. 12 kJ mol-1. The most stable conformer has Cs symmetry. The spectra of (CF3)2NO· are indicative of a planar, C2v, structure though a quasi-planar structure with a low barrier to inversion cannot be ruled out. A frequency of 133 cm-1 has been tentatively assigned to the CNO bending mode which is out of the CNC plane. Since (CF3)2NO· is less likely to be planar than an acyclic dialkyl nitroxide, it is concluded that the latter also should be considered to be planar species. The CF3 rotational barriers of (CF3)2NOH and (CF3)2NO· are discussed. © 1981 American Chemical Society.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC)
Peer reviewedYes
NPARC number21276461
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Record identifier3ba69b49-daaf-4c45-b7a1-f3a38e662cfb
Record created2015-10-13
Record modified2017-03-23
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