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Synthesis and Crystal Structure of a New Ternary Complex of Nickel(II) with L-Aspartic Acid and 1,10-Phenanthroline
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作者 马录芳 梁福沛 +2 位作者 覃海错 胡瑞祥 张漫波 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第12期1376-1382,共7页
A new ternary complex of nickel(II) with L-aspartate (L-Asp) and 1, 10-phenan- throline(Phen), [Ni3(L-Asp)(Phen)5(H2O)3](ClO4)4?4.75H2O, has been synthesized in a mixed sol- vent of H2OC2H5OH at the pH value of 3. I... A new ternary complex of nickel(II) with L-aspartate (L-Asp) and 1, 10-phenan- throline(Phen), [Ni3(L-Asp)(Phen)5(H2O)3](ClO4)4?4.75H2O, has been synthesized in a mixed sol- vent of H2OC2H5OH at the pH value of 3. It crystallizes in triclinic, space group P1 with a = 11.861(2), b = 18.384(4), c = 19.746(3) ?, α = 107.68(1), β = 105.94(1), γ = 103.41(2)°, V = 3703.6(11) ?3, Mr = 1745.66, Z = 2, Dc =1.565 g/cm3, μ = 0.989 mm-1, F(000) = 1791, R = 0.0643 and wR = 0.1611. The complex contains two cations, binuclear [Ni2(L-Asp)(Phen)3(H2O)]2+ and mononu- clear [Ni(Phen)2(H2O)2]2+. All the nickel ions in the complex are six-coordinated with a distorted octahedral geometry, but the coordination environments for them are different. There exist hydrogen bonds and π-π stacking interactions in the complex. 展开更多
关键词 L-aspartic acid 1 10-phenanthroline nickel(II) complex crystal structure
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Synthesis and Crystal Structure of a Novel Ternary Ni(II) Complex with 2-Hydroxyl-1,10- phenanthroline and 2-Hydroxynicotinic Acid as Ligands 被引量:1
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作者 WANG Jian-Ge DU Qiao-Yun LI Peng-Yun 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第6期747-751,共5页
A novel ternary complex of [NiL1L2·2H2O]·NO3·H2O (L1 = 2-hydroxyl-1,10-phenanthroline (HOphen), L2 = 2-hydroxynicotinic acid (H2nicO)) was synthesized, and its crystal structure was determined by ... A novel ternary complex of [NiL1L2·2H2O]·NO3·H2O (L1 = 2-hydroxyl-1,10-phenanthroline (HOphen), L2 = 2-hydroxynicotinic acid (H2nicO)) was synthesized, and its crystal structure was determined by X-ray diffraction and further characterized by infrared and elementary analysis. The title complex (C18H18NiN4O10, Mr = 509.07) belongs to the triclinic system, space group P1^- with a = 712490(7), b = 11.0164(10), c = 13.3864(13)A, α = 91.6040(10),β= 98.8620(10), γ= 107.1140(10)°, V= 1006.43(17)A^3, Z = 2, Dc = 1.680 g/cm^3,μ= 1.032 mm^-1, F(000) = 524, the final R = 0.0461 and wR= 0.1238. In the complex, the Ni(H) ion is six-coordinated to assume a distorted octahedral geometry, and a 3D supramolecular network comes into being via weak intermolecular interactions of X-O--.H (X = N, O). 展开更多
关键词 2-hydroxyl-1 10-phenanthroline 2-hydroxynicotinic acid nickel complex crystal structure
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马来腈二硫纶·邻菲咯啉镍(II)配合物的电子光谱和理论研究 被引量:9
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作者 甘雄 谢音 +3 位作者 任小明 沈玉芳 彭正合 周运鸿 《化学学报》 SCIE CAS CSCD 北大核心 2005年第14期1307-1312,i003,共7页
测量了标题配合物Ni(mnt)(phen)在多种介质中的电子吸收光谱和发射光谱,使用密度泛函理论的B3LYP方法和分子轨道理论的PM3方法研究了其气态分子几何构型、电子结构和成键,用ZINDO/S方法通过多组态的组态相互作用(CI)计算解释了实验光谱... 测量了标题配合物Ni(mnt)(phen)在多种介质中的电子吸收光谱和发射光谱,使用密度泛函理论的B3LYP方法和分子轨道理论的PM3方法研究了其气态分子几何构型、电子结构和成键,用ZINDO/S方法通过多组态的组态相互作用(CI)计算解释了实验光谱.结果表明:该配合物分子为平面结构,对称性属于点群C2v,基态为自旋三重态,配位键Ni—N和Ni—S为典型的共价结合,Ni的3d电子反馈效应较显著;可见区的吸收带和发射带(对应于基态电子组态到较低能量激发态组态的跃迁)本质上属于配体phen到mnt2-的荷移跃迁(LL′CT),紫外区的吸收带本质上属于配体的π→π*跃迁. 展开更多
关键词 镍(Ⅱ)配合物 理论研究 电子光谱 邻菲咯啉 二硫纶 B3LYP方法 电子吸收光谱 分子几何构型 分子轨道理论 密度泛函理论 组态相互作用 PM3方法 ZINDO 自旋三重态 发射光谱 多种介质 电子结构 平面结构 反馈效应 3d电子 phen
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