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Chinese Journal of Chemistry 2000年第1期18卷 72-75页

作者：朱向明俞飚惠永正 State Key Laboratory of Bio-organic and Natural Products Chemistry Shanghai Institute of Organic Chemistry Chinese Academy of Sciences Shanghai 200032 China

The protected apiose-containing disaccharide, benzyl O-(2,3, 3'-tri-O-acetyl-β-D-apiofuranosyl)-( 1→3)-2, 4-di-O-benzoyl-α-D-xylopyranoside, was synthesized and its x-ray structure provided.

关键词： Apiose isomerization synthesis x-ray structure

Synthesis, x-ray structure and Aggregation Effect of Tetramethoxy Substituted Dibenzo[ fg, op]naphthacene

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Chinese Journal of Chemistry 2007年第11期25卷 1762-1765页

作者：程晓红傅长金 Key Laboratory of Medicinal Chemistry for Natural Resource Ministry of Education School of Chemistry and Material Engineering Yunnan University Kunming Yunnan 650091 China

Tetramethoxy substituted dibenzo[fg,op]naphthacene was synthesised by using Friedel-Crafts acylation, tandem Aldol-Michael solvent-free reaction and palladium catalyzed dehydrohalogenation cyclization as key steps. Th... 详细信息

关键词： dibenzo[fg,op]naphthacene synthesis x-ray structure aggregation

β-Tosylamino and/3-Hydroxyl Substituted α-Diazocarbonyl Compounds： x-ray structure and 1,2-Migrations under Photochemical Condition

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Chinese Journal of Chemistry 2006年第1期24卷 138-140页

作者：马明闫瞾章士伟王剑波 Key Laboratory of Bioorganic Chemistry and Molecular Engineering of the Ministry of Education of China College of Chemistry Peking University Beijing 100871 China

As a continuation of the investigation on 1,2-migration of metal carbene and free carbene, two x-ray structures of β-substituted α-diazocarbonyl compounds were obtained. The relationship between the structure and 1,... 详细信息

关键词： diazo compound x-ray structure 1,2-migration photochemical reaction

New luminescent 10-oxybenzoquinolate complexes of rare earth metals

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Journal of Rare Earths 2023年第8期41卷 1135-1143,I0001页

作者： Tatyana V.Balashova Svetlana K.Polyakova Vasily A.Ilichev Andrey A.Kukinov Roman V.Rumyantcev Georgy K.Fukin Ivan D.Grishin Artem N.Yablonskiy Alexander F.Shestakov Mikhail N.Bochkarev G.A.Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences Tropinina Street49603950Nizhny NovgorodRussian Federation Nizhny Novgorod State University Gagarina Avenue 23/2603950Nizhny NovgorodRussian Federation Institute for Physics of Microstructures of Russian Academy of Sciences Akademicheskaya Street 7603950Nizhny NovgorodRussian Federation Institute of Problems of Chemical Physics of Russian Academy of Sciences Academician Semenov Avenue1ChernogolovkaMoscow Region142432Russian Federation

A series of Sc,Y,Ce,Pr,Nd,Sm,Eu,Gd,Tb,Ho,Er,Tm and Yb complexes with oxybenzoquinoline ligands(BQ) was synthesized by the reactions of 10-hydroxybenzo[h]quinoline with cyclopentadienides or tris(trimethylsilyl)amides of rare earth *** structure,as well as the photo-and electroluminescent(PL,EL) properties of these complexes in solutions and solid state were *** solutions,complexes of sodium and lanthanides exhibit double peaked ligand-centered PL of enol and keto forms of BQ with a quantum yield of 1%-8%.In the solid state the complexes of Sm,Eu,Ho,Nd,Er,and Yb along with the ligand-centered PL also exhibit a moderate-intensity metal-centered PL which is characteristic of the corresponding Ln^(3+) ***(BQ)_(3) complex shows bright green EL which has intensity comparable to the best results observed for scandium complexes with other organic ligands.

关键词： Lanthanides Photoluminescence(PL) Electroluminescence(EL) 10-hydroxybenzo[h]quinoline x-ray structure Organic light-emitting diodes(OLEDs)

Synthesis and Crystal structure of a Novel Tetranuclear Complex [Pb_4(HQ)_6(NO_3)_2]

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Chinese Journal of Structural Chemistry 2008年第3期27卷 287-292页

作者：张万忠魏德州车晓飞高恩君王克华尹洪喜谷晓夫 School of Resource & Civil Engineering Northeastern University Laboratory of Coordination Chemistry Shenyang Institute of Chemical Technology

Reaction of 8-hydroxyquinoline （HQ） with Pb（NO3）2 in water resulted in the formation of a tetranuclear complex [Pb4（HQ）6（NO3）2] 1. It has been characterized by IR, elemental analyses and x-ray diffraction. Crystal data for this complex： triclinic system, space group P1, a = 9.7399（6）, b = 11.6535（8）, c = 12.6806（8） A, α = 62.8050（10）, β = 78.4910（10）, γ = 80.5490（10）°, C54H36N8O12Pb4, Mr= 1817.67, Z = 1, V = 1250.04（14）A^3, Dc = 2.415 g/cm^3,μ = 13.503 mm^-1, -12≤h≤8, -14≤k≤13, -15≤1≤15, F（000） = 840, Rint = 0.0217, R= 0.0348 and wR = 0.0927. x-ray crystal structure analysis revealed that in 1 each Pb（ II ） contains a stereo- chemically active lone pair of electrons. The Pb…C interaction, C-H……O weak interaction and π…π stacking interactions are observed in the complex. In the solid state, the complex possesses strong photoluminescent emission at 485 and 528 nm.

关键词： Pb(II) complex x-ray structure luminescent property

x-ray and DFT Study of Glaucocalyxin A Compound with Cytotoxic Activity

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Chinese Journal of Chemical Physics 2009年第3期22卷 275-284,339页

作者：王福东汪涛吴安安丁兰汪汉卿中国科学院兰州化学物理研究所固体润滑国家重点实验室兰州730000 厦门大学物理与机电学院厦门361005 厦门大学固体表面物理化学国家重点实验室厦门大学化学与化工学院厦门361005 西北师范大学生命科学学院兰州730070 菏泽学院化学与化工系菏泽274015 中国科学院研究生院北京100039

The title compound glaucocalyxin A （1）（Ta,14β-dihydroxy-ent-kaur-16-en-3,15-dione） iso- lated from the leaves of isodon excisoides was characterized by IR, 1H NMR, 13C NMR, 1H-1H COSY, HMQC, HMBC, and EIMS, and its crystal structure was determined by singlecrystal x-ray diffraction. The x-ray crystal structure revealed that the molecular backbone of the chosen crystal is a tetracyclic system, including three six-membered rings and a five- membered ring, and the three six-membered rings are in a chair-like conformation. The five-membered ring adopts a twisted envelope-like conformation, and its geometrical param- eters were compared with theoretical calculations at the B3LYP and HF level of theory. The molecules form extensive networks through the intra- and intermolecular hydrogen bonds. The experimental NMR data were interpreted with the aid of magnetic shielding constant calculations, by means of the GIAO （gauge-Including atomic orbitals） method. Calculated and experimental results were compared with a satisfactory level of agreement. Molecular electrostatic potential map was used in an attempt to identify key features of the diterpenoid glaucocalyxin A that is necessary for its activity. Calculations of molecular electrostatic po- tential and stabilization energies suggest that the protonation of glaucocalyxin A will be able to occur on carbonyl oxygen atoms.

关键词： Isodon excisoides Glaucocalyxin A x-ray structure Density functional theory

Synthesis and Crystal structure of (L)_2W(CO)_4·CH_3COCH_3 (L=1-Phenacylimidazole)

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Chinese Journal of Structural Chemistry 2006年第6期25卷 663-666页

作者： GAN xian-xue ZHAO xue-Mei SONG Hai-Bin WANG Ji-Tao TANG Liang-Fu Department of Chemistry and Chemical Engineering Yibin University Yibin 644007 China Department of Chemistry State Key Laboratory of Elemento-Organic Chemistry Nankai University Tianjin 300071 China

The reaction of 1-phenacylimidazole with W（CO）6 in a 1：1 molar ratio under irradiation with a high-pressure Hg lamp mainly yielded the title compound （C29H26N4O7W, Mr = 726.39）, which is of orthorhombic, space group Pbca with a = 27.665（4）, b = 7.7807（12）, c = 27.803（4） A, V = 5984.8（16）A^3, Z = 8, Dc = 1.612 g/cm^3, λ（MoKa） = 0.71073 A ,μ= 3.911 mm^-1, F（000） = 2864, R = 0.0583 and wR = 0.1502 for 3356 observed reflections （I 〉 2σ（I））. The crystal structural analysis indicates that in the coordination geometry of tungsten, 1-phenacylimidazole acts as a monodentate ligand and two imidazole ligands locate in a cis-position.

关键词： imidazole tungsten carbonyl x-ray structure

One-dimensional alkylate-bridged Würster's blue-based diradical dications

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Science China Chemistry 2017年第5期60卷 602-606页

作者： Tao Li Houjia Wei Zaichao Zhang Yue Zhao Yunxia Sui xinping Wang State Key Laboratory of Coordination Chemistry School of Chemistry and Chemical Engineering' Collaborative Innovation Center of Advanced Mierostructures Nanjing University Nanjing 210093 China School of Chemistry and Chemical Engineering Huaiyin Normal University Huai'an 223300 China

By using weakly coordinating anions we succeeded in the stabilization and isolation of two Wfirster＇s blue-based diradicaloid dications with saturated spacers. Their geometries and electronic structures were investigated by various experiments in conjunction with DFT calculations. Both one-dimensional alkylate-bridged dications show considerable diradical character with spacer-dependent singlet-triplet energy gaps. One of them displays a much enhanced diradical character and could basically be viewed as a pure diradical with degeneracy of singlet and triplet states.

关键词： diradical singlet excited triplet state Wiirster's blue radical cation x-ray structure

Anionic passivation layer-assisted trapping of an icosahedral Ag_(13)kernel in a truncated tetrahedral Ag_(89)nanocluster

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Science China Chemistry 2021年第9期64卷 1482-1486页

作者： Yan-Min Su Bao-Qian Ji Zhi Wang Shan-Shan Zhang Lei Feng Zhi-Yong Gao Yun-Wu Li Chen-Ho Tung Di Sun Lan-Sun Zheng Key Lab of Colloid and Interface Chemistry Ministry of EducationSchool of Chemistry and Chemical EngineeringState Key Laboratory of Crystal MaterialsShandong UniversityJinan250100China School of Chemistry and Chemical Engineering Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine ChemicalsKey Laboratory of Green Chemical Media and ReactionsMinistry of EducationHenan Normal UniversityXinxiang453007China Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell Technology School of Chemistry and Chemical EngineeringLiaocheng UniversityLiaocheng252000China State Key Laboratory for Physical Chemistry of Solid Surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen361005China

Isolating reductive silver kernel from shell is a challenging task but is quite important to understand the embryonic form during the formation of silver *** intercalation of suitable anionic species may be of benefit for passivating then capturing such highly active ***,we successfully isolated a novel silver thiolate nanocluster[Ag_(13)@Ag_(76)S_(16)(Cyh S)_(42)(p-NH_(2)-Ph As O_(3))_(4)]^(3+)(SD/Ag89 a,Cyh SH=cyclohexanethiol)that contains a well-isolated icosahedral Ag_(13) kernel passivated by four Ag S_(4)^(7-) tetrahedra and four p-NH_(2) Ph As O_(3)^(2-) piercing from outer Ag_(72) *** note,this Ag_(13) kernel is the largest isolable subvalent silver kernel beneath the silver shell with extremely legible core-shell boundary ever before and represents a precise embryonic model formed in the reducing Ag(I)to Ag(0)followed by aggregating to large silver *** reductive role of DMF and the introduction of anionic passivation layer(APL)synergistically modulate the reduction kinetics,facilitating the capture of ultrasmall subvalent silver ***/Ag89 a emits in near infrared(NIR)region(λ_(em)=800 nm)at low *** synthetic strategy shown in this work opens up new opportunities for precisely capturing and recognizing diverse reductive silver kernels in different systems.

关键词： silver cluster anionic passivation layer x-ray structure luminescence

Synthesis,Crystal structure and Electrochemistry Properties of an Iron(Ⅲ) Complex Based on the 3,5-Pyridinedicarboxylate and Water Ligands

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Chinese Journal of Structural Chemistry 2010年第2期29卷 290-296页

作者：冯勋赵建社王利亚师新阁 College of Chemistry and Chemical Engineering Luoyang Normal University College of Chemistry and Materials Science Northwest University

Reaction of 3,5-pyridine-dicarboxylic acid（3,5-PydcH2） with iron salt in hydrothermal condition results in the formation of a three-dimensional self-assembly network formulated as [C14H14Fe2N2O12]n,and it has been structurally characterized by elemental analysis,IR spectra and x-ray *** crystallizes in the monoclinic system,space group C2/c with a=9.9633（15）,b=12.0942（18）,c=7.4297（11）A and β=*** units of Fe2（pydc）2·2H2O are linked into a one-dimensional structure via the chelate carboxylate groups from the 3,*** interlayer hydrogen bonding interactions result in a three-dimensional supramolecular *** the complex,the Fe（Ⅲ） ion displays a slightly distorted pentagonal bipyramidal geometry with seven coordination ***-voltammetry measurement reveals the oxidation and reduction processes for the complex are quasi-reversible in nature.

关键词： x-ray structure iron(Ⅲ) complex topology cyclic-voltammetry