Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (6): 554-561. Previous Articles     Next Articles

Original Articles

不同异构型的双铜配合物的结构、磁性和分子力学研究

程鹏;廖代正;阎世平;姜宗慧;王耕霖;王磊光;劳学军;姚心侃;王宏根;王国雄   

  1. 南开大学化学系;南开大学物理系;南开大学中心实验室;南京大学化学系
  • 出版日期:1996-06-15 发布日期:1996-06-15

Structural, magnetic and molecular mechanics studies on dicopper(Ⅱ) complexes with different tautomers

CHENG PENG;LIAO DAIZHENG;YAN SHIPING;JIANG ZONGHUI;WANG GENGLIN;WANG LEIGUANG;LAO XUEJUN;YAO XINKAN;WANG HONGGEN;WANG GUOXIONG   

  • Online:1996-06-15 Published:1996-06-15

Two dicopper(Ⅱ) complexes, [Cu2(H2L)(μ-N3)](ClO4)2.1/2C2H5OH(1) and [Cu2(HL)(μ-N3)(ClO4)(C2H5OH)(H2O)](2), have been synthesized and characterized, where H3L is the binucleating ligand 2, 6-diformyl-4- methylphenol di(benzoylhydrazone). The crystal structure of 2 has been determined. Crystal data for 2 are monoclinic, space group P21/c, a=1.0967(4)nm, b=0.7684(2)nm, c=3.5724(7)nm, β=90.08(2)°, V=3.0103nm^3, Z=4, Dc=1.61g.cm^-^3, μ=15.66cm^-^1, F(000)=1488. The final R and Rw values are 0.083 and 0.088, respectively. The analysis of variable-temperature (4~300K) magnetic susceptibility data indicates that a medium antiferromagnetic interaction occured between copper(Ⅱ) ions. The exchange parameters (2J) are -86.8cm^-^1 for 1 and -132.4cm^-^1 for 2, respectively. The effect of tautomeric isomeride on magnetic interaction was discussed by molecular mechanics and CNDO/2 methods.

Key words: PHENOL P, INFRARED SPECTROPHOTOMETRY, ELEMENTAL ANALYSIS, CRYSTAL STRUCTURE, COPPER COMPLEX, TAUTOMERISM, MAGNETISM, MOLECULAR MECHANICS, BENZOYL HYDRAZINE

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