UNUSUAL HYDROGEN-BONDS - H-CENTER-DOT-CENTER-DOT-CENTER-DOT-PI INTERACTIONS

Authors
ROZAS I ALKORTA I ELGUERO J
Citation
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
Citations number
42
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
101
Issue
49
Year of publication
1997
Pages
9457 - 9463
Database
ISI
SICI code
1089-5639(1997)101:49<9457:UH-HI>2.0.ZU;2-C
Abstract
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.