Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (09): 775-782.doi: 10.3866/PKU.WHXB19990902

• ARTICLE • Previous Articles     Next Articles

Synthesis and Crystal Structure and Quantum Chemistry of Tris(2-benzimidazylmethyl)amine with Manganese(II)

Miao Fang-Ming, Fan Zhi, Zhou Wei-Hong, Qi Li-Ning, Li Ai-Xiu, Liu Xiao-Lan   

  1. Institute of Chemical Crystallography,Tianjin Normal University,Tianjin 300074
  • Received:1998-11-16 Revised:1999-01-07 Published:1999-09-15
  • Contact: Liu Xiao-Lan

Abstract:

 A new complex of tris(2-benzimidazylmethyl)amine (NTB) with manganese(II) was synthesized. Single crystal X ray diffraction studies show that this new compound belongs to monoclinic, space group P2 1/c with a = 1.423 8(7) nm, b = 2.480 2(3) nm, c =1.697 7(7) nm, V = 5.989 3nm 3 and Z = 4 The crystal structure was solved by heavy atom and Fourier synthesis methods, the structure was refined to R = 0 07 The coordinated number of Mn 2+ is five with a distorted trigonal bipyramid geometry. The quantum chemistry calculation shows that Mn 2+ cation locates itself in the middle of the negative charge hole formed by five nitrogen atoms.

Key words: Manganese(II), Synthesis, Crystal structure, Tris(2-benzimidazylmethyl)amine