首页 期刊 结构化学杂志 2019年第07期
结构化学

结构化学杂志 SCI期刊 CSCD期刊

Chinese Journal of Structural Chemistry

杂志简介：《结构化学》杂志经新闻出版总署批准，自1982年创刊，国内刊号为35-1112/TQ，是一本综合性较强的化工期刊。该刊是一份月刊，致力于发表化工领域的高质量原创研究成果、综述及快报。主要栏目：有机化学、无机化学、合成化学、结构化学、材料科学、药物化学、晶体学、理论化学等。

主管单位：中国科学院
主办单位：中国科学院福建物质结构研究所(福州市闽侯上街高新区海西园,中国科学院海西研究院);中国化学会
国际刊号：0254-5861
国内刊号：35-1112/TQ
全年订价：¥ 300.00
创刊时间：1982
所属类别：化工类
发行周期：月刊
发行地区：福建
出版语言：中文
预计审稿时间：1-3个月
综合影响因子：0.3
复合影响因子：0.37
总发文量：3108
总被引量：5102
H指数：17
期刊他引率：1
平均引文率：21.186
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分期目录

  • Effect of Copper-vacancy on the Electrical,Optical and Thermoelectric Properties of CuInTe2 by the First-principles Study

    作者：薛丽; 徐斌; 任一鸣 刊期：2019年第07期

    The effects of copper-vacancy on the electrical, optical and thermoelectric properties of CuInTe2 have been investigated by the first-principles calculations and semi-classical Boltzmann theory. The estimated results of copper vacancy formation energies for Cu1-xn Te2(x = 0,1/16, 1/8 and 1/4) showed it is more diffic...

  • DFT Studies on the Stoichiometric Thorium Oxide Clusters(ThO2)n(n = 1~5): Electronic and Structural Properties

    作者：夏婵娟; 汪玲妃; 黄昕; 王彬 刊期：2019年第07期

    Density functional theory(DFT) calculations are performed to investigate the electronic and structural properties of the stoichiometric thorium oxide clusters(ThO2)n-/0(n = 1~5). Generalized Koopmans' theorem is applied to predict the vertical detachment energies(VDEs)which are used to simulate the anionic photoelect...

  • Theoretical Researches on the Self-assembly System of Molecularly Imprinted Polymers Formed via Phenobarbital and Acrylamide

    作者：王光宇; 刘俊渤; 唐珊珊; 常海波; 靳瑞发 刊期：2019年第07期

    For preparing the phenobarbital(PHN) molecularly imprinted polymers(MIPs) with higher adsorption and selectivity properties, we used the M062 X/6-31 g(d,p) method of density functional theory to predict the various properties of PHN-MIPs. Here PHN is as the imprinted molecule and acrylamide(AM) as the functional mono...

  • Synthesis, Crystal Structure and Antitumor Activity of a Na(Ⅰ) Coordination Polymer Based on 2-Propyl-4,5-imidazoledicarboxylic Acid and 1,10-Phenanthroline Ligands

    作者：台夕市; 周小晶; 刘丽丽 刊期：2019年第07期

    A new Na(I) coordination polymer,[Na2(Hpimdc)(H2 pimdc)(phen)2]n(1), has been synthesized by the reaction of NaOH with 2-propyl-4,5-imidazoledicarboxylic acid(H3 pimdc)and 1,10-phenanthroline(phen). The Na(I) coordination polymer 1 was characterized by single-crystal X-ray diffraction analysis and elemental analysis....

  • Synthesis, Crystal Structure and Antitumor Activity of N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N'-((E)-styryl)ureas

    作者：宋新建; 王旭梅; 孙琦; 黄生田; 王艳 刊期：2019年第07期

    N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N?-((E)-styryl)ureas 4 a~4 i were designed and synthesized as antitumor agents, and their structures were characterized by IR, 1 H NMR, 13 C NMR,MS and elemental analysis. The single crystal of compound 4 a, C17 H13 FN4 OS, was also determined by X-ray crystallography. Crystal data: m...

  • Synthesis, Crystal Structure, Hirshfeld Surface Analysis and Biological Activity of 1-(Bis(4-methoxyphenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine

    作者：仲琰; 朱义杰; 高雅蓉; 许逸; 李萍; 吴斌 刊期：2019年第07期

    In this study, a novel phenoxyethylamine derivative 1-(bis(4-methoxy phenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine(C28 H35 N2O3, Mr = 454.58) has been synthesized and its structure was characterized by 1 H NMR, 13 C NMR, HRMS and single-crystal X-ray diffraction. The compound crystallizes in triclinic system...

  • Crystal Structure and the Third-order Nonlinear Optical Property of a Cadmium(Ⅱ) Complex Based on a D-π-A Structural Organic Ligand

    作者：金凤; 马明月; 吕婧洁; 郭晓杰; 查全军; 孙林; 张琳; 廖荣宝 刊期：2019年第07期

    A triphenylamine-containing Schiff base ligand(L), namely, N-(4-(1 H-imidazol-1-yl)benzylidene)-N,N-diphenylbenzene-1,4-diamine, was synthesized and characterized. By coordination of the ligand with CdI2, a complex CdI2 L2 was obtained. The structure of the complex was analyzed through single-crystal X-ray diffractio...

  • Effects of Ni-Doping on Microstructures and Properties of Zn-20Sn High-Temperature Lead-Free Solders

    作者：田君; 洪丽华; 洪春福; 鄢晓晖; 戴品强 刊期：2019年第07期

    In the present work, the effect of Ni doping on the microstructures and properties of Zn-20 Sn high temperature lead-free solder has been investigated. Interestingly,Ni was present as the form of Ni-Zn compounds in the microstructure of Zn-20 Sn-xNi alloy.When the Ni-doping amount was 0.2~0.4 wt.%, the presence of δ ...

  • NBO/NMR Analysis of Interaction between Picene and Boron Nitrid Nano Ring

    作者：MEHRNOOSH; Khaleghian 刊期：2019年第07期

    In order to investigate the non-bonded interaction between picene and B12 N12 nano ring(BNNR) in different orientations and distances, we focused on a single-wall boronnitride B12 N12 nano-ring. The geometry of molecules was optimized using the B3 LYP method with 6-31 g* basis set. The reactivity and stability of pic...

  • Synthesis, Crystal Structure and Herbicidal Activity of Methyl(E)-α-(Methoxyimino)-2-((4-(3-chloro-5-(trifluoromethyl)-pyridine-2-yl)phenoxy)methyl)benzeneacetate

    作者：曹杨羊; 王维伟; 杜晓华 刊期：2019年第07期

    The title compound methyl(E)-α-(methoxyimino)-2-((4-(3-chloro-5-(trifluoromethyl) pyridine-2-yl)phenoxy)methyl)benzeneacetate(C23 H18 ClF3 N2 O4) has been synthesized and structurally characterized by 1 H and 13 C NMR, and HRMS. Its absolute molecular configuration was investigated by X-ray crystallography. The cryst...

  • Crystal Structure, Characterization and Enhanced Solubility of Ibuprofen by 2-Methylimidazolium Salt

    作者：张宪瑞; 高蕾 刊期：2019年第07期

    Novel crystalline forms of ibuprofen(IBU) with 2-methylimidazole(2 MI) in a 1:1 molar ratio was synthesized by liquid-assisted grinding technique and characterized by single-crystal X-ray diffraction, infrared spectral(IR), powder X-ray diffraction(PXRD),differential scanning calormetry(DSC) and Hirshfeld surface ana...

  • Preparation and Characterization of Magnetic Fe3O4-PAMAM-antibody Complex and Its Application in the Removal of Tetracycline from Wastewater

    作者：欧敏锐; 张子惠; 陈志鸿; 温昱恺; 杨黄浩; 许小平 刊期：2019年第07期

    Antigens and antibodies can bind specifically, so antibiotic antibody shows potential biological and environmental applications on the removal of antibiotic. In the present study, novel antibody complex was synthesized from polyamide-amine dendrimer immobilized tetracycline(TC) antibody with the encapsulation of magn...

  • Two Novel Metal Coordination Polymers:Anticancer Activity in Human Angioneoplasm Cells

    作者：马小五; 董静; 张建鑫; 吴文芳; 冉红; 张平洋 刊期：2019年第07期

    Two new coordination polymers, namely {[Cu(CPTD)(HCOO)](H_2O)4}n(1, HCPTD= 4′-(4-Carboxyphenyl)-2,2′:6′,2″-terpyridine) and {[Dy3(NTB)3(NMF)2(H2O)]n(NMF)3}n(2,H3NTB = 4,4′,4″-nitrilotribenzoic acid, NMF = N-methylformamide) have been successfully constructed under solvothermal conditions. The structures of the ...

  • Synthesis, Structural Characterization and Magnetocaloric Effect of a Butterfly [Co^Ⅱ2Gd^Ⅲ2] Cluster

    作者：刘通; 黄渊梅; 邹华红; 汪海玲; 梁福沛 刊期：2019年第07期

    2-(2,3-Dihydroxpropyliminomethyl)6-methoxyphenol(H3L), trimethylacetic acid(Hpiv), Gd(NO3)3·6 H2O and Co(NO3)2·6 H2O were reacted in Me OH to obtain a heterometallic tetranuclear cluster [Gd2Co2(L)2(μ3-OH)2(piv)6]·2 Hpiv·2 CH3OH(1). X-ray crystallographic analysis reveals that compound 1 was found to be a butterfly h...

  • Synthesis and Study of Spectroscopic Properties of Imidazole Porphyrin and Its Zn(Ⅱ) Complex

    作者：郭国哲; 张艳敏; 张玉全; 郑旭东; 李艳春; 刘家成 刊期：2019年第07期

    A novel sensitizer with imidazole zinc porphyrin as electron donor has been synthesized. The structure has been characterized by UV-Vis, elemental analyses and 1 H NMR.UV-Vis and fluorescence spectra show that it has good light absorbing properties in the range of visible light and suggests that it has potential appl...

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