D 5h H©Cu5H5-: a covalently bonded planar pentacoordinate hydrogen star
Li-Xia Bai1, Yan-Xia Jin1, Mesías Orozco-Ic2
1Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China. guojc@sxu.edu.cn.
Abstract:
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.
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