A Theoretical Study of HF-CHCl and (HF)-CHCl Complexes.

The equilibrium geometries, relative stabilities, and vibrational properties (frequencies and intensities) of the HF-CHCl (1:1) and (HF)-CHCl (1:2) complexes were reinvestigated at the MP2/Aug-cc-pVTZ level. The results are discussed in light of the results obtained in solid argon matrices by L. Andrews and co-workers and related to the bonding analysis. The stability and cooperative effects in the hydrogen bonding of the (HF)-CHCl complex in its cyclic form are outlined.