A bimetallic oxalamidino complex of neodymium [（Cp＇＇）2Nd（NR）2C-C（NR＇）2Nd（Cp＇＇）2][Cp＇＇= η5-C5H3-1,3-（SiMe3）2, R=C6H11]（2） was obtained via reaction between Ndl2 and carbodiimide[RN：C：NR] （R=C6H1...A bimetallic oxalamidino complex of neodymium [（Cp＇＇）2Nd（NR）2C-C（NR＇）2Nd（Cp＇＇）2][Cp＇＇= η5-C5H3-1,3-（SiMe3）2, R=C6H11]（2） was obtained via reaction between Ndl2 and carbodiimide[RN：C：NR] （R=C6H11）（molar ratio 1：1） in tetrahydrofuran（THF） solution, followed by the addition of [KCp＇＇（THF）]（1）（molar ratio 1：2） at a low temperature through a reductive-coupling reaction with carbodiimide. The structure of the intermediate product was confirmed by means of elemental analysis, ^1H NMR and ^13C NMR. Characterization of the product by single crystal X-ray diffraction confirmed the diamidinate type of structure.展开更多
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...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.展开更多
基金Supported by the National Natural Science Foundation of China（No.21201006）, the Natural Science Foundation of Anhui Province, China（No.1308085QB34）, the Special Research Fund for the Doctoral Program of Higher Education, China （No.26920123415120002） and the Doctoral Starting-up Foundation of Xi＇an University of Science and Technology, China （No.2015 QDJ023）.Acknowledgements We thank Prof. ZHANG Hongkie in Changchun Institute of Applied Chemistry of Chinese Academy of Sciences for his helpful suggestions.
文摘A bimetallic oxalamidino complex of neodymium [（Cp＇＇）2Nd（NR）2C-C（NR＇）2Nd（Cp＇＇）2][Cp＇＇= η5-C5H3-1,3-（SiMe3）2, R=C6H11]（2） was obtained via reaction between Ndl2 and carbodiimide[RN：C：NR] （R=C6H11）（molar ratio 1：1） in tetrahydrofuran（THF） solution, followed by the addition of [KCp＇＇（THF）]（1）（molar ratio 1：2） at a low temperature through a reductive-coupling reaction with carbodiimide. The structure of the intermediate product was confirmed by means of elemental analysis, ^1H NMR and ^13C NMR. Characterization of the product by single crystal X-ray diffraction confirmed the diamidinate type of structure.
基金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）.Acknowledgement We thank Prof ZHANG Hongjie（Changchun Institute of Applied Chemistry, Chinese Academy of Sciences） for his helpful suggestions.
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.
