Unprecedented observation and characterization of sulfur-centred bifurcated hydrogen bonds

被引：3

作者：

Ma, Xiantao ^{[1
]}

Zhu, Yingying ^{[1
]}

Yu, Jing ^{[1
]}

Zhao, Geng ^{[1
]}

Duanmu, Jiaxin ^{[1
]}

Yuan, Yiyun ^{[1
]}

Chang, Xue-Ping ^{[1
]}

Xu, Dongli ^{[1
]}

Zhou, Qiuju ^{[1
]}

机构：

[1] Xinyang Normal Univ, Coll Chem & Chem Engn, Green Catalysis & Synth Key Lab Xinyang City, Xinyang 464000, Henan, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2021年 / 23卷 / 46期

基金：

中国国家自然科学基金;

关键词：

ALLYLIC ALCOHOLS; GAS-PHASE; STRENGTH; CATALYSIS;

D O I：

10.1039/d1cp04601b

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：

Owing to the small electronegativity of the sulfur atom, it is commonly supposed that at most one weak H-bond can be formed between a sulfur atom and an H-bond donor. In this paper, an unprecedented 2 : 1 binding species generated from two molecules of phenol and a molecule of thioether was observed and characterized by various nuclear magnetic resonance (NMR) techniques, Fourier transform-infrared (FT-IR) techniques and density functional theory (DFT) calculations, revealing the formation of sulfur-centred O-HMIDLINE HORIZONTAL ELLIPSISSMIDLINE HORIZONTAL ELLIPSISH-O bifurcated H-bonds. This work may provide a simple and efficient method for the quantitative analysis of weak H-bonds between small organic molecules.

引用

页码：26519 / 26523

页数：5

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