Cooperativity in multiple unusual weak bonds

被引：240

作者：

Alkorta, Ibon ^{[1
]}

Blanco, Fernando ^{[1
]}

Deya, Pere M. ^{[2
]}

Elguero, Jose ^{[1
]}

Estarellas, Carolina ^{[2
]}

Frontera, Antonio ^{[2
]}

Quinonero, David ^{[2
]}

机构：

[1] CSIC, Inst Quim Med, E-28006 Madrid, Spain

[2] Univ Illes Balears, Dept Chem, Palma de Mallorca 07122, Spain

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 2010年 / 126卷 / 1-2期

关键词：

Hydrogen bonds; Hydric bonds; Dihydrogen bonds; Halogen bonds; Ion-pi interactions; CATION-PI INTERACTIONS; BIFURCATED HYDROGEN-BONDS; ANION-PI; METAL COORDINATION; AB-INITIO; HALOGEN BONDS; C-H; COMPLEXES; INTERPLAY; BINDING;

D O I：

10.1007/s00214-009-0690-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This review covers two aspects concerning cooperativity in multiple weak bonds: a summary of literature results and a theoretical study of a complete series of model complexes. All the 15 combination of five weak bonds were explored: hydrogen bonds, hydric bonds, dihydrogen bonds, halogen bonds and ion-pi interactions. Since in several cases there were no examples reported, a systematic exploration has been carried out on simple models at the MP2/aug-cc-pVTZ level. The results thus obtained have been analyzed using the atoms in molecules methodology.

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页码：1 / 14

页数：14

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