K. Gobbato, C. Leibold, S. Centeno
Jun 30, 1996
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0
Influential Citations
6
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The geometric structures of trifluoroacetyl chloride, CF 3 C(O)Cl, and chlorodifluoroacetyl chloride, CF 2 ClC(O)Cl were determined by gas electron diffraction. The CF 3 group in CF 3 C(O)Cl adopts an eclipsed orientation relative to the C=O double bond. In the predominant conformer of CF 2 ClC(O)Cl (93(3)%) the two chlorine atoms are gauche to each other (Θ(ClCCCl) = 75.4(10)°) with a small contribution of the trans form (Θ(ClCCCl) = 180°). The experimental geometric parameters are compared to those obtained by ab initio calculations.