CAJ | 학술논문

采用水热法合成了一个结构新颖的锌配合物 Zn(Him)2(bna)21(Him =咪唑；Hnba =5溴烟酸),并用 X 射线粉末衍射、红外光谱、热重分析及 X 射线单晶衍射进行了结构表征.研究结果表明,配合物属于三斜晶系,空间群 P 1,晶胞参数为：a =9.273(2)?,b =10.971(2)?,c =11.162(2)?,α=97.4(1)°,β=105.1(1)°,γ=100.0(1)°,V =1061.4(4)?3,C18 H14 Br2 N6 O4 Zn,Mr =603.54,Dc =1.888 g·cm-3,μ=4.960 mm-1,F (000)=592,Z =2,最终偏离因子[I >2σ(I )]R 1=0.0483,wR 2=0.1061；在配位物晶体中,中心锌离子形成了畸变的四面体配位模式,分子间通过 N H…O 氢键作用沿 b 方向形成了一维超分子链.并对配合物1的荧光性质进行了测试.CCDC1024450.
채용수열법합성료일개결구신영적자배합물 Zn(Him)2(bna)21(Him =미서；Hnba =5추연산),병용 X 사선분말연사、홍외광보、열중분석급 X 사선단정연사진행료결구표정.연구결과표명,배합물속우삼사정계,공간군 P 1,정포삼수위：a =9.273(2)?,b =10.971(2)?,c =11.162(2)?,α=97.4(1)°,β=105.1(1)°,γ=100.0(1)°,V =1061.4(4)?3,C18 H14 Br2 N6 O4 Zn,Mr =603.54,Dc =1.888 g·cm-3,μ=4.960 mm-1,F (000)=592,Z =2,최종편리인자[I >2σ(I )]R 1=0.0483,wR 2=0.1061；재배위물정체중,중심자리자형성료기변적사면체배위모식,분자간통과 N H…O 경건작용연 b 방향형성료일유초분자련.병대배합물1적형광성질진행료측시.CCDC1024450.
A novel zinc complex Zn(Him)2 (bna)2 1 (Him=imidazole,Hbna=5 bromonicotinic acid)has been hy-drothermally synthesized and characterized by powder XRD,FT IR,TG DTA and single crystal X ray diffrac-tion.Colorless crystals crystallize in the triclinic system,space group P 1 with a =9.273(2)?,b =10.971(2)?, c =1 1.1 62(2)?,α = 97.4(1)°,β=105.1(1)°,γ= 100.0(1)°,V =1 061.4(4)?3 ,C1 8 H 1 4 Br2 N6 O 4 Zn,Mr =603.54,Dc =1.888 g·cm-3 ,μ (MoKα)=4.960 mm-1 ,F (000)=592,Z =2,the final R 1=0.048 3 and wR 2 =0.106 1 for 2 403 observed reflections with(I > 2σ(I )).The zinc(II)atom structure in 1 exhibits a slightly dis-torted tetrahedron geometry,the self assemble molecules form a chain along the b crystallographic direction con-nected by N H…O hydrogen bonds.Furthermore,the fluorescence property of the complex 1 has also been inves-tigated.CCDC 1024450.