The Microwave Spectrum and Molecular Constants of Trifluoromethyl Acetylene

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Abstract
Pure rotational transitions, J=4→5,6→7, and 8→9 have been measured for CF3CCH and J=5→6 and 8→9 for CF3CCD. These yield for CF3CCH, B0=2,877.948 Mc/sec, DJ=0.24 kc/sec, DJK=6.3 kc/sec, and for CF3CCD, B0=2,696.073 Mc/sec, DJ=0.26 kc/sec, DJK=6.2 kc/sec. If ∠FCF is tetrahedral, d(C≡C) and d(CH) are assumed to be 1.207A and 1.056A, respectively, then the bond lengths d(CF)=1.330A and d(C−C)=1.493A are obtained. Rotational frequencies of molecules in excited bending vibration modes have been measured and found to agree with Nielsen's theory of l-type doubling.