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 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), 2024-01, Vol.60 (100), p.14996-14999
Main Authors: Li-Xia, Bai, Yan-Xia, Jin, Orozco-Ic, Mesías, Merino, Gabriel, Jin-Chang, Guo
Format: Article
Language:English
Subjects:
Dynamic stability
Hydrogen
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.
ISSN:1359-7345
1364-548X
DOI:10.1039/d4cc05041j