Work

Experimental investigation of halogen-bond hard–soft acid–base complementarity

Year: 2017

Type: article

Abstract: The halogen bond (XB) is a topical noncovalent interaction of rapidly increasing importance. The XB employs a `soft' donor atom in comparison to the `hard' proton of the hydrogen bond (HB). This difference has led to the hypothesis that XBs can form more favorable interactions with `soft' bases than HBs. While computational studies have supported this suggestion, solution and solid-state data are lacking. Here, XB soft-soft complementarity is investigated with a bidentate receptor that shows similar associations with neutral carbonyls and heavy chalcogen analogs. The solution speciation and XB soft-soft complementarity is supported by four crystal structures containing neutral and anionic soft Lewis bases.

Source: Acta Crystallographica Section B Structural Science Crystal Engineering and Materials

DOI: 10.1107/s2052520617001809

Authors: Asia Marie S. Riel, Morly J. Jessop, Daniel A. Decato, Casey J. Massena, Vinicius R. Nascimento, Orion B. Berryman

Institution: University of Montana

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, National Institute of General Medical Sciences, Division of Chemistry