Abstract
Combined use of rotational spectroscopy and ab initio calculations at the MP2/6-311++G(d,p) level of theory shows that the complex formed between vinyl fluoride and hydrogen fluoride has a planar geometry in which HF forms a hydrogen bond to the F atom of vinyl fluoride. With ϕ = the angle CF⋯H = 121.4° assumed from the ab initio calculation, the distance r(FH) = 1.892(14) Å and the angular deviation θ = 18.7(15)° of the F⋯H–F nuclei from collinearity were obtained by fitting the principal moments of inertia of the two isotopomers C 2H 3F⋯HF and C 2H 3F⋯DF investigated.
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