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Structural and Theoretical Studies of a New Cu^I-Cu^I Complex Bearing Bulky Unsymmetrical Benzamidinate Ligand

Structural and Theoretical Studies of a New Cu^I-Cu^I Complex Bearing Bulky Unsymmetrical Benzamidinate Ligand
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摘要 Density functional theory(DFT) calculations unambiguously verify that there is little or no direct metalmetal bonding in the dinuclear copper(I) benzamidinate complex [Cu2(LRW)2](2){LRR=[PhC(NR)(NR')]-(R= 2,6-iPr2C6H3, R'=SiMe3)} with a short Cu-Cu distance[0.24454(4) nm]. Density functional theory(DFT) calculations unambiguously verify that there is little or no direct metalmetal bonding in the dinuclear copper(I) benzamidinate complex [Cu2(LRW)2](2){LRR=[PhC(NR)(NR')]-(R= 2,6-iPr2C6H3, R'=SiMe3)} with a short Cu-Cu distance[0.24454(4) nm].
出处 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2015年第1期112-116,共5页 高等学校化学研究(英文版)
基金 Supported by the National Natural Science Foundation of China(No.21201006), the Special Research Fund for the Doctoral Program of Higher Education of China(No.26920123415120002) and the Fund of the State Key Laboratory of Inorganic Synthesis and Preparative Chemistry of China(No.2012-27).Acknowledgements We thank Prof ZHANG Hongjie(Changchun Institute of Applied Chemistry, Chinese Academy of Sciences) for his helpful suggestions.
关键词 Copper(I) complex Cu-Cu interaction Benzamidinate N-LIGAND Density functional theory Copper(I) complex Cu-Cu interaction Benzamidinate N-Ligand Density functional theory
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