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本文合成出双核桥联络合物μ-Pyz[Cu(IDA)]_2,并培养出单晶。用四园衍射仪测定了晶体结构。属单斜晶系,空间群P2_1/c,晶胞参数:α=11.725(3)A;b=6.630(2)A,c=14.089(5)A,β=107.9(2)~0;Z=2;R=0.080。亚胺基二乙酸(IDA)的N_1,O_1,O_3原子是以三齿径式与Cu(Ⅱ)离子配位,以及吡嗪环上的N_2原子构成赤道配位平面,在轴向上下是与两个H_2O分子的O原子构成一个拉伸畸变的八面体配位场。吡嗪的两个N原子把两个Cu(IDA)配合物桥联起来。吡嗪环平面与铜(Ⅱ)离子的赤道配位平面成47°角。ESR实验证明:这两个Cu(Ⅱ)离子上的末偶电子,通过吡嗪环进行微弱的磁交换互作用。EHMO计算结果表明:吡嗪的α_R和b_(1R)轨道,对传递磁交换作用有贡献。α_R轨道是通过α—交换机理传递磁交换作用,而b_(1R)轨道是通过π—交换机理传递磁交换作用,由于吡嗪与Cu(Ⅱ)离子的配位能力不强,以致在该配合物中吡嗪桥传递磁交换作用也是微弱的。
In this paper, binuclear bridged complex μ-Pyz [Cu (IDA)] _2 was synthesized and single crystals were grown. The crystal structure was measured with four-garden diffractometer. Is a monoclinic system with a space group of P2_1 / c with unit cell parameters of α = 11.725 (3) A; b = 6.630 (2) A, c = 14.089 (5) A; = 2; R = 0.080. The N_1, O_1, O_3 atoms of iminodiacetic acid (IDA) are coordinated with Cu (Ⅱ) ions by tridentate and form equatorial coordination planes with N_2 atoms on the pyrazine ring, O atoms of two H_2O molecules form a distorted octahedral coordination field. The two N atoms of the pyrazine bridge two Cu (IDA) complexes. The pyrazine ring plane forms an angle of 47 ° with the equatorial coordination plane of copper (Ⅱ) ions. ESR experiments show that the last two electrons on the two Cu (II) ions undergo a weak magnetic exchange interaction through the pyrazine ring. The results of EHMO show that the α_R and b_ (1R) orbitals of pyrazine contribute to the transfer of magnetic exchange. The α_R orbitals transmit the magnetic exchange through the α-exchange mechanism, while the b_ (1R) orbitals transfer the magnetic exchange through the π-exchange mechanism. Since the coordination ability of pyrazine and Cu (Ⅱ) ions is not strong, Pyrazole bridge magnetic transfer of objects is weak.