Synthesis and Molecular Structure of Mixed Thiocyanate and Nitrate Neodymium Complex with Dibenzoylsemicarbazone

Abstract

Abstract: Following the neodymium perchlorate complex with a new Schiff base diben-zoylsemicarbazone, [Nd(C₁₆H₁₆N₆O₂)₂(H₂O)₂](ClO₄)₃, another neodymium mixed-coordinated thio-cyanate and nitrate complex [Nd(C₁₆H₁₆N₆O₂)(NO₃)(NCS)₂H₂O] 3CH₃(CO)CH₃with the same lig-and was synthesized. Compared with neodymium perchlorate complex, only one chain ligand takes part in the coordination. The excess coordination sites are satisfied by two thiocyanate ions, one ni-treate ion and one water molecule. The C. N. of neodymium is 9. The crystal structure of this complex was determined as follows: P1 space group. The cell constants are:α=10.866(2)Å, b=13. 687(3)Å, c=15.133(3)Å, α=98. 75(4)°,β=107. 64(5)°,γ=112. 14(5)°. The final deviation factor R=0. 075. The electronic structure of model molecule for this complex has been calculated by INDO method. The result shows that coordination bond formed by NCS-is much strongerthan that formed by group. It should be due to the fact that besides σ coordination bondthere isπd interaction be ween NCS^-and Nd(Ⅲ).

Key words: Dibenzoylsemicarbazone, Thiocyanate neodymium, Nitrate neodymium, Complex(G, S)

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Huang Ling, Huang Chun-hui, Ren Jing-qing, Xu Guang-xian, He Cun-heng. Synthesis and Molecular Structure of Mixed Thiocyanate and Nitrate Neodymium Complex with Dibenzoylsemicarbazone[J]. Chem. J. Chinese Universities, 1991, 12(3): 290.

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Synthesis and Molecular Structure of Mixed Thiocyanate and Nitrate Neodymium Complex with Dibenzoylsemicarbazone

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