D5h CU5H5X:: Pentagonal hydrocopper Cu5H5 containing pentacoordinate planar nonmetal Centers (X = B, C, N, O)

被引：71

作者：

Li, SD ^{[1
]}

Miao, CQ

Ren, GM

机构：

[1] Xinzhou Teachers Univ, Inst Mat Sci, Xinzhou 034000, Shanxi, Peoples R China

[2] Xinzhou Teachers Univ, Dept Chem, Xinzhou 034000, Shanxi, Peoples R China

来源：

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2004年 / 11期

关键词：

ab initio calculations; density functional calculations; hydrocopper; pentacoordinate planar carbon; electronic structures;

D O I：

10.1002/ejic.200400223

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Pentacoordinate planar nonmetals (PPNs) centered in perfect pentagonal hydrocopper complexes Cu5H5X (X = B, C, N, O), as determined by density functional theory methods, are presented in this communication. The results obtained in this work complete the hypercoordinate planar carbon series with high symmetries (D-4h, D-5h, and D-6h), and may shed new insight in catalyst chemistry. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004).

引用

页码：2232 / 2234

页数：3

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