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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个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Cc,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。
Binuclear copper complexes of N-oxide pyridine-2-carbaldehyde thiosemicarbazone were synthesized. The crystal structure determination shows that the two Cu atoms are linked by two monatomic oxygen bridges. Each bridged oxygen atom is located on the tetragonal pyramid base centered on one Cu atom and on the pyramid of another Cu atom pyramid top. The crystal is monoclinic with space group Cc. The crystal structure parameters are a = 16.445, b = 13.889, c = 12.770A, β = 122.82 °. According to the calculation results of semi-empirical MO method, the reasons why the characteristic peaks of N-O bond and C = N bond shift in different directions are pointed out and the magnetic coupling constants are estimated.