Nature of the Ga-Ga bonding in Na2[Arx*GaGaArx*]（Arx*=C6H3 -2,6-（C6H5）2）:Electron localization function analysis 期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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*Nature of the Ga-Ga bonding in Na₂[Arx^GaGaArx^]（Arx^=C₆H₃ -2,6-（C₆H₅）₂）:Electron localization function analysis**

基金项目：	supported by the National Natural Science Foundation of China (20973053, 21073051, 21102033, 21171047);the Natural Science Foundation of Hebei Province (B2010000371,B2011205058,B2010000368);the Education Department Foundation of Hebei Province (ZD2010126)

摘要：	The nature of the Ga-Ga bonding in Na2ArxGaGaArx](Arx* = C6H3-2,6-(C6H5)2) has been investigated and compared with that of in H2ArxGaGaArx] using electron localization function(ELF) and orbital analysis.The calculation results show that in Na2ArxGaGaArx],the Ga-Ga interaction is a non-classical triple bond,the heart of Na2ArxGaGaArx] is the Ga2Na2 cluster rather than a simple Ga-Ga bond,and the contribution of the sodium atoms to the short Ga-Ga bond length is considerable.As the two sodium atoms are substituted by two hydrogen atoms,the Ga-Ga bond is replaced by two 3-center,2-electron(3c-2e) Ga-H-Ga covalent bridged bonding.
关键词：	Ga-Ga bonding electron localization function hydrogen bridged bond
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