The anti-hydrogen bond in aromatic N-sulfinylamines with ortho H atoms

被引：40

作者：

Muchall, HM ^{[1
]}

机构：

[1] Concordia Univ, Dept Chem & Biochem, Montreal, PQ H3G 1M8, Canada

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2001年 / 105卷 / 03期

关键词：

D O I：

10.1021/jp002984k

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：

Calculated geometries are presented for five aromatic N-sulfinylamines, R-N=S=O, All carry at least one hydrogen atom on the aromatic ring ortho to the NSO substituent, and all show a preference for a planar isomer in which the substituent's oxygen atom is oriented toward an ortho hydrogen. All these isomers exhibit a shortening of the corresponding C-H bond. Using the quantum theory of atoms in molecules (AIM), it can be shown that a C-H . . .O bonding interaction exists that meets all the characteristics of an anti-hydrogen bond.

引用

页码：632 / 636

页数：5

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