D 5h 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 σ-bonds and a central 6c-2e σ-bond. Unlike the ionic H©Li5H5- cluster, H©Cu5H...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2024-11
Main Authors: Bai, Li-Xia, Jin, Yan-Xia, Orozco-Ic, Mesías, Merino, Gabriel, Guo, Jin-Chang
Format: Article
Language:English
Online Access:Get full text
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Summary: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 σ-bonds and a central 6c-2e σ-bond. Unlike the ionic H©Li5H5- cluster, H©Cu5H5- features covalent multicenter bonding.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 σ-bonds and a central 6c-2e σ-bond. Unlike the ionic H©Li5H5- cluster, H©Cu5H5- features covalent multicenter bonding.
ISSN:1364-548X
1364-548X
DOI:10.1039/d4cc05041j