ChemInform Abstract: THE MICROWAVE SPECTRUM, STRUCTURE, AND DIPOLE MOMENT OF CIS‐1,2,3‐TRIFLUOROCYCLOPROPANE

Abstract

Abstract The microwave spectrum of cis-1,2,3-triflurocyclopropane has been investigated in the region 8–40 GHz. A fit of the oblate symmetric top spectrum gives a rotational constant of 4064.925 ± 0.022 MHz. A molecular structure was determined using the rotational constants obtained from assignments of the monodeutero species and the carbon-13 species. The molecular parameters are r (CH) = 1.095 ± 0.002 A , r (CC) = 1.507 ± 0.001 A , r (CF) = 1.354 ± 0.001 A and ∠(HCF) = 112.3 ± 0.2°. The dipole moment was determined to be 3.89 ± 0.02 D. The structural parameters are compared to other substituted cyclopropyl ring structures and to molecular orbital predictions as well as to related fluorocarbons. The molecule provides another example of the effect of fluorine substitutions on shortening adjacent bonds. It is also found that nonbonded F⋯F distances tend to be constant.