Reinvestigation of the gas-phase structure of tris(trifluoromethyl)arsine

The gas-phase structure of tris(trifluoromethyl)arsine (As(CF3)3) at ambient temperature has been re-investigated by means of electron diffraction. Substantial higher accuracy in structural parameters compared to the previous investigation has been achieved. In contrast to the previously reported C3v structure we found C3 symmetry. Selected ra3,1 structure parameters are: As-C = 2.007(2) Å; C-As-C = 95.5(3)°. The experimental structure parameters are compared to parameters obtained in HF/TZVPP and MP2/TZVPP calculations, the latter being in excellent agreement with the experimental structure.