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elusive Au(I)···H-O 氢键:实验验证。

The Elusive Au(I)···H-O Hydrogen Bond: Experimental Verification.

机构信息

Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.

出版信息

J Am Chem Soc. 2021 Aug 18;143(32):12494-12498. doi: 10.1021/jacs.1c07035. Epub 2021 Aug 9.

Abstract

Our long-standing interest in atypical bonding situations has recently led us to target complexes in which a metallobasic gold(I) center is hydrogen-bonded to a nearby OH functionality. Here, we report on the synthesis and characterization of two neutral gold(I) indazol-3-ylidene complexes bearing a carbinol or silanol group at the 4-position. As indicated by X-ray diffraction, H NMR spectroscopy, IR spectroscopy, and extensive computational modeling, the OH group of these derivatives is engaged in a Au···H-O interaction. In addition to shedding light on an elusive bonding situation, these results also indicate that increasing the acidity of the OH functionality is not necessarily beneficial to the stability of the Au(I)···H-O interaction.

摘要

我们一直对非典型键合情况感兴趣,最近我们的目标是将金属碱性金(I)中心与附近的 OH 功能键合的配合物。在这里,我们报告了两个中性金(I)吲唑-3-亚基配合物的合成和表征,它们在 4-位带有一个甲醇或硅醇基团。正如 X 射线衍射、1H NMR 光谱、红外光谱和广泛的计算模型所表明的那样,这些衍生物的 OH 基团参与了 Au···H-O 相互作用。这些结果不仅阐明了一种难以捉摸的键合情况,还表明增加 OH 功能的酸度不一定有利于 Au(I)···H-O 相互作用的稳定性。

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