I. Rozas et al., UNUSUAL HYDROGEN-BONDS - H-CENTER-DOT-CENTER-DOT-CENTER-DOT-PI INTERACTIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(49), 1997, pp. 9457-9463
We present theoretical proof that the nature of the interactions exist
ent in the complexes formed between hydrogen fluoride and a series of
pi-systems (acetylene, ethylene, cyclopropene, cyclobutadiene, and ben
zene) and three-memebered-ring derivatives (cyclopropane and tetrahedr
ane) is that of a hydrogen bond between the hydrogen atom and the pi-c
loud. Geometric and energetic data and mainly the study of the topolog
y of the electronic density within the frame of the theory of atoms in
molecules established by Bader have been used for this analysis.