Chemical Research in Chinese Universities ›› 2015, Vol. 31 ›› Issue (2): 294-297.doi: 10.1007/s40242-015-4288-y

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Computational Bottom-up Design of Ytterbium(Ⅱ) Complex with Pyridyl Amido Ligand

PAN Chengling1,2, TANG Guodong1, ZHENG Bin1, Ahmed ELSHEWY3, XU Jiqing2   

  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. Pharmaceutical Organic Chemistry Department, Faulty of Pharmacy, Cairo University, Cairo 11562, Egypt
  • Received:2014-07-29 Revised:2014-11-03 Online:2015-04-01 Published:2014-11-17
  • Contact: PAN Chengling E-mail:chengling_pan@126.com
  • Supported by:

    Supported by the National Natural Science Foundation of China(No.21201006), the Natural Foundation of Anhui Province of China(No.1208085QB27), the Special Research Fund for the Doctoral Program of Higher Education, China (No.26920123415120002) and the Fund of the State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, China (No.2012-27).

Abstract:

Having been designed via bottom-up strategy based on density functional theory(DFT) calculations, a complex of ytterbium(Ⅱ) with pyridyl amido ligand was successfully synthesized by one-pot reaction in laboratory. DFT calculation shows that pyridyl amido ligands can stabilize the complex via steric and electron effect. This success in integrating computation with synthesis will inspire more explorations in the development of a new complex in lanthanide chemistry.

Key words: Amido ligand, Lanthanide chemistry, Density functional theory