D5h H©Cu5H5-：共价键平面五配位氢星

IF 4.3 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Chemical Communications Pub Date : 2024-11-20 DOI:10.1039/d4cc05041j

Lixia Bai, Yan-Xia Jin, Mesías Orozco-Ic, Gabriel Merino, Jin-Chang Guo

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引用次数: 0

摘要

我们设计了一种具有平面五配位氢（ppH）的 D5h 氢铜 H©Cu5H5- 星体。这种结构是全局最小结构，具有动态稳定性。它的平面几何结构由五个外围的 Cu-H-Cu 3c-2e sigma 键和一个中心的 6c-2e sigma 键支撑。与离子型 H©Li5H5- 簇不同，H©Cu5H5- 具有共价多中心键。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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D5h H©Cu5H5-: a covalently bonded planar pentacoordinate hydrogen star

A D5h hydrocopper H©Cu5H5- star with planar pentacoordinate hydrogen (ppH) was designed. This structure is the global minimum, exhibiting dynamic stability. Its planar geometry is supported by five peripheral Cu-H-Cu 3c-2e sigma-bonds and a central 6c-2e sigma-bond. Unlike the ionic H©Li5H5- cluster, H©Cu5H5- features covalent multicenter bonding.

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来源期刊

Chemical Communications 化学-化学综合

CiteScore

8.60

自引率

4.10%

发文量

2705

审稿时长

1.4 months

期刊介绍： ChemComm (Chemical Communications) is renowned as the fastest publisher of articles providing information on new avenues of research, drawn from all the world''s major areas of chemical research.