Chemical Research in Chinese Universities ›› 2015, Vol. 31 ›› Issue (1): 112-116.doi: 10.1007/s40242-015-4287-z

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Structural and Theoretical Studies of a New CuI-CuI Complex Bearing Bulky Unsymmetrical Benzamidinate Ligand

PAN Chengling1,2, TANG Guodong1, CAO Zhi3, XU Jiqing2, SHENG Shaoding1   

  1. 1. Laboratory of Multi Scale Materials and Molecular Catalysis, School of Materials Science and Engineering, Anhui University of Science and Technology, Huainan 232001, P. R. China;
    2. State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, P. R. China;
    3. Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, USA
  • Received:2014-07-29 Revised:2014-09-26 Online:2015-02-01 Published:2014-11-10
  • Contact: PAN Chengling, E-mail:chengling_pan@126.com E-mail:chengling_pan@126.com
  • Supported by:

    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).

Abstract:

Density functional theory(DFT) calculations unambiguously verify that there is little or no direct metal-metal bonding in the dinuclear copper(I) benzamidinate complex [Cu2(LRR')2](2){LRR'=[PhC(NR)(NR')]-(R= 2,6-iPr2C6H3, R'=SiMe3)} with a short Cu-Cu distance[0.24454(4) nm].

Key words: Copper(I) complex, Cu-Cu interaction, Benzamidinate, N-Ligand, Density functional theory