Topological Analysis of hydrogen bonding interactions involving C-H...O bonds

NELIDA MARIA PERUCHENA; SOSA, G. L.; CONTRERAS, R. H.; CASTRO, E. A.

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM

ELSEVIER SCIENCE BV

Lugar: Elsevier; Año: 1997 vol. 401 p. 77 - 85

0166-1280

A topological analysis of two model systems in which different C-H...0 hydrogen bonds exist is performed in order to characterize them. It is found that it is necessary to analyze the topological properties of the acceptor atom involved in the hydrogen bond since several parameters are qualitatively different in both complexes. This behaviour seems to suggest a way of identifying these bonds. in order to characterize them. It is found that it is necessary to analyze the topological properties of the acceptor atom involved in the hydrogen bond since several parameters are qualitatively different in both complexes. This behaviour seems to suggest a way of identifying these bonds.