Experimental investigation of halogen-bond hardsoft acid-base complementarity

被引：20

作者：

Riel, Asia Marie S. ^{[1
]}

Jessop, Morly J. ^{[1
]}

Decato, Daniel A. ^{[1
]}

Massena, Casey J. ^{[1
]}

Nascimento, Vinicius R. ^{[1
]}

Berryman, Orion B. ^{[1
]}

机构：

[1] Univ Montana, Dept Chem & Biochem, 32 Campus Dr, Missoula, MT 59812 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2017年 / 73卷

基金：

美国国家科学基金会; 美国国家卫生研究院;

关键词：

halogen bonding; anion recognition; hard-soft acid-base; NMR titration; ANION-PI INTERACTION; AMBIDENT REACTIVITY; HYDROGEN-BONDS; SOFT ACIDS; COMPLEXES; THERMODYNAMICS; BINDING; ENERGETICS; RECEPTORS; HYDRIDES;

D O I：

10.1107/S2052520617001809

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：203 / 209

页数：7

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