On the molecular structure of difluoroacetic acid as investigated by means of gas electron diffraction

Abstract

Two conformations were found by means of an analysis of the electron diffraction patterns of gaseous difluoroacetic acid at 140 °C: 74% of a conformation with the CHF2 group rotated 82.5° from a position with the hydrogen atom eclipsed with respect to the C=O bond, the remainder in a conformation with the CHF2 group rotated 18° from this eclipsed position.

The important bond lengths in Å, rg(1), and bond angles with, in parentheses, their standard deviations are: C-F: 1.354 (0.007), C-C: 1.517 (0.006), C=O: 1.212 (0.004), C-O: 1.345 (0.009), O-H: 0.96 (0.02) Å, C-C=O: 123.9 (1.0), C-C-O: 110.6 (1.0), C-C-F: 108.7 (0.7), F-C-F: 108.6 (0.6)°.