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化学学报
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化学学报 ›› 1989, Vol. 47 ›› Issue (11): 1065-1070. 上一篇    下一篇

研究论文

N-氧化吡啶-2-甲醛衍生物的配合物研究 III: N-氧化吡啶 -2-甲醛缩氨基硫脲的双核铜配合物的晶体结构和电子结构

陆勤;王国雄;臧焰;尹湛峰;曾成;周忠远   

  1. 南京大学配位化学研究所;中国科学院成都分析测试中心
  • 发布日期:1989-11-15

Studies on coordination compounds with picolinaldehyde N-oxide derivatives as ligands III: Crystal and electronic structure of binuclear copper (II) complex with picolinaldehyde N-oxide thiosemicarbazone

LU QIN;WANG GUOXIONG;ZANG YAN;YIN ZHANFENG;ZENG CHENG;ZHOU ZHONGYUAN   

  • Published:1989-11-15

PDF

515

被引次数

15

合成了N-氧化吡啶 -2-甲醛缩氨基硫脲的双核铜配合物。晶体结构的测定表明两Cu原子之间是通过两个单原子氧桥相联, 每个桥联氧原子既处于一个Cu原子为中心的四方锥底面, 又是另一个Cu原子四方锥的锥顶。晶体属单斜晶系, 空间群为Ce, 晶体结构参数为a=16.445,b=13.889,c=12.770A,β=122.82°。根据半经验MO法的计算结果, 指出了红外谱中N-O键和C=N 键特征峰朝不同方向位移的原因, 并对磁偶合常数作了估计。

关键词: 吡啶 P, 红外分光光度法, 晶体结构, Ｘ射线衍射分析, 铜络合物, 氧化物, 电子结构, 双核络合物, 甲醛 P, 氨基硫脲 P

thiosemicarbazone) was prepared Crystal structure anal. has shown that 2 Cu atoms are bridged by 2 O atoms. Each O atom lies at the base of a square pyramid containing 1 Cu atom and acts as the top of the square pyramid containing the other Cu atom. The crystal belongs to monoclinic system, space group Cc, with a 16.445, b 13.889, c 12.770 ? b 122.82? R = 0.0388, Rw = 0.0414. The band shifts of the N-O bond and the C:N bond in the IR spectrum were explained by semiempirical MO calcns. and the value of the magnetic coupling parameter was estimated

Key words: PYRIDINE P, INFRARED SPECTROPHOTOMETRY, CRYSTAL STRUCTURE, X-RAY DIFFRACTION ANALYSIS, COPPER COMPLEX, OXIDE, ELECTRONIC STRUCTURE, DINUCLEAR COMPLEX, FORMALDEHYDE P, THIOSEMICARBAZIDE P

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