证据表明金（I）配合物中存在真正的氢键。
Evidence for genuine hydrogen bonding in gold(I) complexes.
机构信息
Laboratoire Hétérochimie Fondamentale et Appliquée, Unité Mixte de Recherche Université - CNRS No 5069, Université Paul Sabatier, 31062 Toulouse Cedex 09, France.
Institut de Chimie de Toulouse, Fédération de Recherche Université - CNRS No 2599, Université Paul Sabatier, 31062 Toulouse Cedex 09, France.
出版信息
Proc Natl Acad Sci U S A. 2019 Jan 2;116(1):46-51. doi: 10.1073/pnas.1817194116. Epub 2018 Dec 19.
Abstract
The ability of gold to act as proton acceptor and participate in hydrogen bonding remains an open question. Here, we report the synthesis and characterization of cationic gold(I) complexes featuring ditopic phosphine-ammonium (P,NH) ligands. In addition to the presence of short Au∙∙∙H contacts in the solid state, the presence of Au∙∙∙H-N hydrogen bonds was inferred by NMR and IR spectroscopies. The bonding situation was extensively analyzed computationally. All features were consistent with the presence of three-center four-electron attractive interactions combining electrostatic and orbital components. The role of relativistic effects was examined, and the analysis is extended to other recently described gold(I) complexes.
摘要
金作为质子受体并参与氢键形成的能力仍然是一个悬而未决的问题。在这里，我们报告了具有双齿膦-铵（P，NH）配体的阳离子金（I）配合物的合成和表征。除了在固态中存在短的 Au∙∙∙H 接触外，NMR 和 IR 光谱推断还存在 Au∙∙∙H-N 氢键。通过计算对键合情况进行了广泛分析。所有特征都与静电和轨道成分相结合的具有三个中心四个电子吸引力相互作用的存在一致。还检查了相对论效应的作用，并将分析扩展到其他最近描述的金（I）配合物。
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