Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements

被引：73

作者：

Daolio, Andrea ^{[1
]}

Pizzi, Andrea ^{[1
]}

Calabrese, Miriam ^{[1
]}

Terraneo, Giancarlo ^{[1
]}

Bordignon, Simone ^{[2
]}

Frontera, Antonio ^{[3
]}

Resnati, Giuseppe ^{[1
]}

机构：

[1] Politecn Milan, Dept Chem Mat & Chem Engn Giulio Natta, Via Mancinelli 7, I-20131 Milan, Italy

[2] Univ Torino, Via Pietro Giuria 7, I-10125 Turin, Italy

[3] Univ Illes Balears, Dept Chem, Crta Valldemossa, Palma De Mallorca 07122, Baleares, Spain

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2021年 / 60卷 / 38期

关键词：

adducts; group; 8; elements; noncovalent interactions; sigma-hole; transition metal; CATALYZED ASYMMETRIC DIHYDROXYLATION; OSMIUM TETRAOXIDE; HIGH ENANTIOSELECTIVITY; CRYSTAL-STRUCTURES; HALOGEN; COMPLEXES; CHALCOGEN; DEFINITION; RUTHENIUM; BONDS;

D O I：

10.1002/anie.202107978

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This communication reports experimental and theoretical evidences of sigma-hole interactions in adducts between nitrogen or oxygen nucleophiles and tetroxides of osmium or other group 8 elements. Cocrystals between pyridine or pyridine N-oxide derivatives and osmium tetroxide are characterized through various techniques and rationalized as sigma-hole interactions using DFT calculations and several other computational tools. We propose the term "osme bond" (OmB, Om=Fe, Ru, Os, (Hs)) for naming the noncovalent interactions wherein group 8 elements have the role of the electrophile. The word osme is the transcription of the ancient Greek word for smell that was used to name the heaviest group 8 element in relation to the smoky odor of its tetroxide.

引用

页码：20723 / 20727

页数：5

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