Halogen bonding: a study based on the electronic charge density.
Published in The journal of physical chemistry. A • Jan 14, 2010
Authors:,,
Nancy J Martinez Amezaga
Silvana C Pamies
Nélida M Peruchena
Abstract
Density functional theory (DFT) and atoms in molecules theory (AIM) were used to study the characteristic of the noncovalent interactions in complexes formed between Lewis bases (NH(3), H(2)O, and H(2)S) and Lewis acids (ClF, BrF, IF, BrCl, ICl, and IBr). In order to compare halogen and hydrogen bon...
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