Halogen Bond Asymmetry in Solution.

ABSTRACT: Halogen bonding is the noncovalent interaction of halogen atoms in which they act as electron acceptors. Whereas three-center hydrogen bond complexes, [D···H···D]⁺ where D is an electron donor, exist in solution as rapidly equilibrating asymmetric species, the analogous halogen bonds, [D···X···D]⁺, have been observed so far only to adopt static and symmetric geometries. Herein, we investigate whether halogen bond asymmetry, i.e., a [D-X···D]⁺ bond geometry, in which one of the D-X bonds is shorter and stronger, could be induced by modulation of electronic or steric factors. We have also attempted to convert a static three-center halogen bond complex into a mixture of rapidly exchanging asymmetric isomers, [D···X-D]⁺ ⇄ [D-X···D]⁺, corre

SUBMITTER: Lindblad S 

PROVIDER: S-EPMC6209183 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature