CAJ | 학술논문

以Cu(NO3)2与1,3-二(N-咪唑基甲基)苯(mb)为原料,用挥发法合成了一种新型二维铜(II)配位聚合物1,其结构经X-射线单晶衍射和元素分析表征。1属单斜晶系， P21/c空间群,晶胞参数a=19.432(6)A°, b=8.433(3)A°, c=21.612(7),β=115.018(5)°, V=3209.3(18)A°3, Z=4, Dc =1.478g·cm-3,μ=0.747mm-1,F(000)=1484, R1=0.0644， wR2=0.1491。1中Cu(II)与四个mb配体的四个氮原子，一个水分子中的氧原子配位,形成一个畸变的四方锥几何构型。 Cu(II)与mb配体形成二重贯穿的二维金属—有机网络结构。用HF/6-31G(d)方法对1的结构参数进行理论研究,结果表明,1具有较好的生物活性。
이Cu(NO3)2여1,3-이(N-미서기갑기)분(mb)위원료,용휘발법합성료일충신형이유동(II)배위취합물1,기결구경X-사선단정연사화원소분석표정。1속단사정계， P21/c공간군,정포삼수a=19.432(6)A°, b=8.433(3)A°, c=21.612(7),β=115.018(5)°, V=3209.3(18)A°3, Z=4, Dc =1.478g·cm-3,μ=0.747mm-1,F(000)=1484, R1=0.0644， wR2=0.1491。1중Cu(II)여사개mb배체적사개담원자，일개수분자중적양원자배위,형성일개기변적사방추궤하구형。 Cu(II)여mb배체형성이중관천적이유금속—유궤망락결구。용HF/6-31G(d)방법대1적결구삼수진행이론연구,결과표명,1구유교호적생물활성。
A new two-dimensional Cu (II) coordination polymer 1 can be synthesized by volatile reactions of copper nitrate and 1, 3-bis(imidazol-1-ylmethyl) benzene(mbix), and the structure is characterized by X-ray single crystal diffraction and elemental analysis. The crystal of 1 belongs to Monoclinic, the space group P21/c with a=19.432(6)A° , b=8.433(3)A° , c=21.612(7)A° ,β=115.018(5)°, V=3209.3(18)A° 3, Z=4, Dc=1.478 g·cm-3, μ=0.747 mm-1, F(000)=1484, R1=0.0644, wR2=0.1491. The Cu atom is five-coordinated with slightly distorted tetragonal pyramid coordination geometry by four N atoms from four mbix ligands and one O atom from coordinated water molecules. Cu atoms and mbix ligands are formed into two-dimensional network structure with two-fold interpenetrating. The structure parameters of the complex 1 is researched for its theoretical analysis through using HF/6-31G(d), and the result shows that the complex 1 has good biological activity.