结构化学杂志 SCI期刊 CSCD期刊

《结构化学》简介简

刊期：2016年第09期

3D-QSAR Studies on 3-Substituted N-Benzhydryl-nortropane Analogs as Nociception Receptor Agonists简

作者：苗俊秋; 何素海; 董秀山; 梁泰刚; 李青山 刊期：2016年第09期

The nociceptin receptor(NOP) has been involved in multiple biological functions, including pain, anxiety, cough, substance abuse, cardiovascular control, and immunity. Thus, selective NOP agonists might have clinical potential for the treatment of related diseases. In the present work, three-dimensional quantitative ...

Photocatalytic Oxidation of Low Molecular Weight Hydrocarbon Gases over Pt-TiO2 Nanotubes简

作者：蔡元珠; 潘晓阳; 李云鹏; 易志国 刊期：2016年第09期

Pt-TiO2 nanotubes with tube diameter of 120 nm and uniformly dispersed Pt particles（size of 2 nm） were successfully synthesized via a carbon nanotube（CNT） templating method followed by a photo-deposition processing of Pt nanoparticles. The as-obtained Pt-TiO2 NTs possess both enhanced visible light absorption and...

Influence of Dodecyl Trimethylammonium Chloride on the Structure and Properties of Konjac Glucanmannan简

作者：穆若郡; 谭小丹; 王敏; 袁毅; 潘娟; 庞杰 刊期：2016年第09期

This study presents the interaction between konjac glucanmannan(KGM) and cationic surfactant dodecyl trimethylammonium chloride(DTAC) to provide theoretical guidance and prediction for the experimental design and application of this composite system. Dissipative particle dynamics(DPD) method was used to simulate the ...

Synthesis, Crystal Structure and Neuroprotective Activity of(E)-1-(4-(4-Chlorobenzyl)piperazin-1-yl)-3-(benzo[d][1,3]dioxol-5-yl)prop-2-en-1-one简

作者：徐兆颖; 仲琰; 刘亚麟; 许逸; 李萍; 吴斌 刊期：2016年第09期

The crystal structure of the new cinnamide derivative（E）-1-（4-（4-chlorobenzyl）piperazin-1-yl）-3-（benzo[d][1,3]dioxol-5-yl）prop-2-en-1-one(C21H21ClN2O3, Mr = 384.85) was determined by single-crystal X-ray diffraction method. Compound 5 crystallizes in the monoclinic system, space group P21/c with a = 11.762（2...

Efficiently Adsorbing CO Molecules Using Al6Si Cluster简

作者：黎康宁; 杨传路; 王美山; 马晓光 刊期：2016年第09期

Based on the density functional theory with generalized gradient approximation, the stable geometrical structures of one or more CO molecules adsorbed on the Al6Si cluster are investigated and the corresponding adsorption energies are also calculated. It is found that the cluster Al6Si can adsorb six CO molecules. Th...

Bromine-contained and Modified with Amino Group, D-π-A α-Cyanostilbenzene Derivative:Synthesis, Crystal Structure and Photoluminescence简

作者：白向阳; 师成城; 孙媛; 丁锐; 黄建炎; 杨家祥 刊期：2016年第09期

A novel D-π-A type α-cyanostilbenzene derivative,(Z)-2-(4-aminophenyl)-3-(4-bromophenyl)-acrylonitrile(ABAN), was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. The structure of ABAN was confirmed by FT-IR, 1H NMR, 13 C NMR spectra and single-crystal X-ray diffraction analy...

Synthesis and Crystal Structure of a New Quaternary Sulfide FeSm6Si2S14简

作者：孙岳玲; 迟洋; 郭胜平 刊期：2016年第09期

One new quaternary rare-earth sulfide, FeSm6Si2S14, has been synthesized by a facile solid-state route with boron as the reducing reagent. It crystallizes in the noncentrosymmetric hexagonal space group P63, belonging to the Ce6Al3.33S14 structure-type, and the AxRE3MQ7 family. Its crystal structure features a 3-D fr...

One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis简

作者：冯超; 黄欢欢; 张舵; 赵红 刊期：2016年第09期

One new polymer [Co（L）（H2O）2]n（1） was synthesized by 4-（ethoxycarbonyl）-5-methyl-1H-1,2,3-triazole-1-carboxylic acid（Emtc） under the in situ solvent thermal reaction（H2L = 1-（carboxymethyl）-5-methyl-1H-1,2,3-triazole-4-carboxylic acid）. The title complex performs a wave-like 2D framework and the ligand ...

Mixed d/f Complexes Zn（H2L）Ln（NO3）3（Ln=Sm,Tb and Dy）:Crystal Structure,Fluorescence and Thermal Stability简

作者：王高继; 韦永勤; 吴克琛 刊期：2016年第09期

A series of isostructural d/f molecular compounds Zn（H2L）Ln（NO3）3·CH3OH（Ln = Dy（1）, Tb（2） and Sm（3）） were synthesized by the introduction of a designed multifunctional ligand N,N?,N??,N???-tetra（2-hydroxy-3-methoxy-5-methylbenzyl）-1,4,7,10-tetraazacyclododecan(H4L = C44H60N4O8). In the isostructural mol...

Topology and Photoluminescence Property of a Neodymium-carboxylate Coordination Polymer Based on a Tripodal Flexible Ligand简

作者：崔培培; 符爱云; 王鹏 刊期：2016年第09期

A Novel TADDOL-based Chiral Metal-organic Framework:Synthesis, Structure and Photoluminescence Study简

作者：王秀仁; 李子建; 巩伟; 刘燕; 刘百战; 崔勇 刊期：2016年第09期

A new C2-symmetric TADDOL-based ligand H4L was designed and synthesized from readily available tartaric acid and was used to construct a novel TADDOL-based chiral metal-organic framework {[Co2L（DMA）（H2O）5]·2DMA}n 1（DMA = N,N?-dimethylacetamide）. It was characterized by single-crystal and powder X-ray diffractio...

A Metal-organic Framework Containing Octanuclear Zn(Ⅱ) Clusters Constructed by 5-Methoxyisophthalate and Flexible Bis(imidazolyl) Ligand简

作者：孙小飞; 潘慧; 李小菊 刊期：2016年第09期

The hydrothermal reaction of 5-methoxyisophthalic acid（MeO-H2ip）, 1,3-bis（2-methylimidazol-1?-yl）propane（bmip） and Zn（NO3）2·6H2O in the presence of NaOCH3 gave rise to a three-dimensional（3-D） metal-organic framework containing octanuclear Zn（II） units, [Zn4（MeO-ip）3（OH）2（bmip）]n. Single-crystal X-r...

Steric Effect Modulating the Structures of Trinuclear Zinc Carboxylate Frameworks简

作者：孙允凯; 谢睿; 王小峰; 文格波; 林英武 刊期：2016年第09期

By the reaction of different aromatic dicarboxylic acid with zinc nitrate, three metal-carboxylate frameworks, [Zn3（BDC）3（EtOH）2]（1）, [Zn3（BDC）3（py）2]·2DMF（2）, and [Zn3（NH2-BDC）3（H2O）2]·5DMF（3） which are constructed on the same linear trinuclear Zn3（RCOO）6 secondary building units, have been synth...

Synthesis, Crystal Structure, Fluorescent Property and DFT Study of a Novel 1D Polymer [Zn（HMICD）（bpy）]n·2nH2O简

作者：郭瑞; 刘广; 张杨; 李朝阳; 齐靖宇; 刘宣文; 苏娜 刊期：2016年第09期

A new one-dimensional（1D） polymer, [Zn（HMIDC）（bpy）]n·2n H2O（1, H3MIDC = 2-methyl-imidazole-4,5-dicarboxylic acid, bpy = 2,2?-bipyridine）, has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, UV-vis spectrum and fluorescence measurement...