The molecular structure of 1,1‐dichloro‐2,2‐difluoroethylene (CCl2=CF2) has been determined by an electron diffraction study in the vapor phase. A Euclidean structural model was obtained from the refined unconstrained least‐squares distances with a procedure that varies the coordinates of a Euclidean model until the best least‐square fit to the non‐Euclidean distances is obtained. This procedure provides a means for estimating shrinkage effects due to molecular vibrations. The bonded distances obtained are rg(C–F) =1.315±0.015 A rg(C=C) = 1.345±0.025 A, rg(C–Cl) =1.706±0.008 A; the associated vibrational amplitudes are l (C–F) =0.049±0.018 A, l (C=C) = 0.044±0.028 A, l (C–Cl) =0.055±0.009 A. The &FCF angle is 112.1°±2.5° and the &ClCCl angle is 119.0°±0.9°. The errors are limits of error at the 95% confidence level. The results indicate a negligible cis Cl⋅⋅⋅F shrinkage (Δra=0.001 A) and an appreciable trans Cl⋅⋅⋅F shrinkage (Δra=0.01 A). The unsymmetrical halogen substitution has caused the C=C distance ...
Read full abstract