Computational bottom-up design of ytterbium(II) complex with pyridyl amido ligand

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• 作者：Chengling Pan (1) (2)
  Guodong Tang (1)
  Bin Zheng (1)
  Ahmed Elshewy (3)
  Jiqing Xu (2)
  
  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
  
• 关键词：Amido ligand ; Lanthanide chemistry ; Density functional theory
• 刊名：Chemical Research in Chinese Universities
• 出版年：2015
• 出版时间：April 2015
• 年：2015
• 卷：31
• 期：2
• 页码：294-297
• 全文大小：510 KB
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• 刊物主题：Chemistry/Food Science, general; Analytical Chemistry; Inorganic Chemistry; Organic Chemistry; Physical Chemistry;
• 出版者：Springer Berlin Heidelberg
• ISSN：2210-3171

文摘

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.