Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron-Density Acceptors

被引：4

作者：

Calabrese, Miriam ^{[1
]}

Gomila, Rosa M. ^{[2
]}

Pizzi, Andrea ^{[1
]}

Frontera, Antonio ^{[2
]}

Resnati, Giuseppe ^{[1
]}

机构：

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

[2] Univ Illes Balears, Dept Chem, Crta Valldemossa Km 7-5, Palma De Mallorca 07122, Baleares, Spain

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2023年 / 29卷 / 60期

关键词：

Cambridge Structural Database; haloperoxidase; noncovalent interactions; sigma-hole interactions; vanadium; DER-WAALS RADII; SIGMA-HOLE; HALOGEN; COMPLEXES; HYDROGEN; DEFINITION; ORBITALS; CHARGE; SHAPE; SE;

D O I：

10.1002/chem.202302176

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Analyses of the Cambridge Structural Database and theoretical calculations (PBE0-D3/def2-TZVP level, atoms-in-molecules, natural bond orbital studies) prove the formation of net attractive noncovalent interactions between group 5 elements and electron-rich atoms (neutral or anionic). These kinds of bonding are markedly different from coordination bonds formed by the same elements and possess the distinctive features of sigma-hole interactions. The term erythronium bond is proposed to denote these bonds. X-ray structures of vanadate-dependent bromoperoxidases show that these interactions are present also in biological systems. In this work, the term erythronium bond (EyB) is proposed to name an attractive noncovalent interaction between any electrophilic element of group 5 and electron-rich atoms (Lewis bases or anions).**image

引用

页数：7

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