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Chinese Journal of Chemistry 2012年第2期30卷 273-276页

作者： Chen,Wentong School of Chemistry and Chemical Engineering Institute of Applied ChemistryJiangxi Province Key Laboratory of Coordination ChemistryJinggangshan UniversityJi'anJiangxi343009China

A novel zinc porphyrin, {[ZnTCPP（EtOH）][Zn（en）]2},（EtOH）2, （1）（TCPP=meso-tetra（4-carboxyphenyl）- porphyrin; EtOH=ethanol; en=ethylenediamine） was obtained via a hydrothermal reaction and characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in the space group C2/c of the monoclinie system with eight formula units in a cell： a=32.465（4） A, b=10.527（3） A, c=31.845（3） A,β=95.524（6）°, V=10832（4） A3, C58H57NsOaIZn3, Mr= 1238.23, Dc= 1.518 g/cm3, S=1.005, μ（Mo Kα）= 1.388 mm-1, F（000）=5112, R=0.0650 and wR=0.1574. Complex 1 features a novel 2-D layered motif. The spectral data of UV-vis, FT-IR and fluorescence are reported.

关键词： crystal fluorescence hydrothermal porphyrin meso-tetra(4-carboxyphenyl)-porphyrin (TCPP)

Predictable site-selective radical fluorination of tertiary ethers

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Science China Chemistry 2020年第2期63卷 187-191页

作者： Junyang Ma Wentao Xu Jin Xie State Key Laboratory of coordination Chemistry Jiangsu Key Laboratory of Advanced Organic MaterialsChemistry and Biomedicine Innovation CenterSchool of Chemistry and Chemical EngineeringNanjing University

In this communication,we disclose the first example of metal-free and site-selective radical fluorination of readily available tertiary alkyl ethers,enabled by synergistic photocatalysis and *** catalytic combination allows for exclusive fluorination of tertiary C–O bonds under mild conditions even in the presence of competing reaction *** excellent functional group tolerance affords valuable access to sterically hindered alkyl fluorides through late-stage modification of complex *** successful use of tertiary alkyl ethers in radical fluorination enhances the structural diversity of aliphatic fluorides that can be derived from naturally abundant alcohols.

关键词： cooperative catalysis C–O bond activation radical fluorination polarity-matching effect umpolung

As-Rigid-As-Possible Surface Morphing

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Journal of Computer Science & Technology 2011年第3期26卷 548-557页

作者：刘亚姝严寒冰 Ralph R.Martin Department of Computer Science Beijing University of Civil Engineering and Architecture National Computer Network Emergency Response Technical Team/coordination Center of China School of Computer Science Cardiff University

This paper presents a new morphing method based on the ＂as-rigid-as-possible＂ approach. Unlike the original as-rigid-as-possible method, we avoid the need to construct a consistent tetrahedral mesh, but instead require a consistent triangle surface mesh and from it create a tetrahedron for each surface triangle. Our new approach has several significant advantages. It is much easier to create a consistent triangle mesh than to create a consistent tetrahedral mesh. Secondly, the equations arising from our approach can be solved much more efficiently than the corresponding equations for a tetrahedral mesh. Finally, by incorporating the translation vector in the energy functional controlling interpolation, our new method does not need the user to arbitrarily fix any vertex to obtain a solution, allowing artists automatic control of interpolated mesh positions.

关键词： morphing simplex transformation interpolation

Synthesis, Crystal Structure and Properties of a New Zn(II) coordination Polymer Constructed from 2,3-Pyridine Dicarboxylic Acid and 1,1′-(1,4-Butanediyl)bis(imidazole)

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Chinese Journal of Structural Chemistry 2014年第2期33卷 193-198页

作者：李书静李可曲波涛郑玮 Department of Chemistry Zhoukou Normal University State Key Laboratory of coordination Chemistry School of Chemistry and Chemical EngineeringNanjing National Laboratory of Microstructures Nanjing University

A new coordination polymer, namely [Zn（pdc）（bbi）]n {H2 pdc = 2,3-pyridine dicar- boxylic acid, bbi = 1,1-（1,4-butanediyl）bis（imidazole）}, has been prepared under hydrothermal conditions and characterized by elemental analysis, IR, and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21 /n with a = 8.436（3）, b = 16.988（5）, c = 12.106（4）, β = 92.204（5）°, V = 1733.6（9）3, Z = 4, C17 H17 N5 O4 Zn, Mr = 420.73, Dc = 1.612 g/cm3, F（000） = 864, μ（MoKa） = 0.452 mm-1, the R = 0.0672 and wR = 0.1645. In the mononuclear complex, each Zn（II） is five-coordinated by one carboxylate O and one pyridyl N atoms from one pdc anion, one carboxylate O atom from another pdc anion, and two N atoms from two bib ligands. The Zn（II） ions are connected by pdc ligands to form skeleton chains, and bbi ligands further link them to construct a 2D framework. The thermal and luminescence properties of the complex were also investigated.

关键词： 2,3-pyridine dicarboxylic acid 1,1'-(1,4-butanediyi)bis(imidazole),zinc complex crystal structure thermal analysis luminescence

One and Two-dimensional Structures of a New Oxamido Copper(II) Complex with Phthalato Bridged

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Chinese Journal of Structural Chemistry 2005年第9期24卷 1017-1020页

作者：陈静姜宗慧廖代正闫世平 Department of Chemistry Nankai University Tianjing 300071 China Department of Chemistry Nankai University Tianjing 300071 China State Key Laboratory of Coordination Chemistry Nanjing 210093 China

A new o-phthalato-bridged oxamide copper（Ⅱ） complex 1, {[Cu2（oxap）]（pht）. 4H2O}n （oxap=N, N＇-bis（2-aminopropyl）oxamide, pht= phthalate dianion）, has been prepared and structurally characterized. It crystallizes in monoclinic, space group C2/c with a=23.424（4）, h=7.9696（14）, c=15.727（3）A°,β=129.617（2）°, C16H28Cu2N4O10, Mr=563.50, V=2261.6（7） A°, Z=4, Dc=1.655 g/cm^3, μ（MoKα）=1.939 mm^-1, F（000） = 1160, the final R=0.0393 and wR=0.0928 for 1707 observed reflections with I〉2σ（1）. Single-crystal X-ray analysis reveals that 1 displays a one-dimensional zigzag chain structure, in which each Cu（oxap） moiety adopting trans-conformation is connected by ,μ1,6-phthalate anion bridges, and these zigzag chains are further linked by another ,μ1,6-phthalate anion bridge to form a 2D sheet structure. The polar guest water molecules reside in the inter-and intrasheets to stabilize the whole crystal structure.

关键词： phthalate oxamide bridged copper(Ⅱ) complex crystal structure host-guest

A colorimetric and ratiometric fluorescent chemosensor based on furan-pyrene for selective and sensitive sensing Al^(3+)

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Chinese Chemical Letters 2016年第11期27卷 1673-1678页

作者： Yuan Zhang Yuan Fang Nai-Zhang Xu Ming-Qun Zhang Guan-Zhi Wu Cheng Yao College of Chemistry and Molecular Engineering Nanjing Tech University College of Overseas Education Nanjing Tech University State Key Laboratory of coordination Chemistry Nanjing University

A new pyrene derivative BF bearing a furan group was synthesized via a one-step reaction as a colorimetric and ratiometric chemosensor for Al3＋ in ethanol-H20 （9：1, v/v, pH 7.2, HEPES buffer） solution. This chemosensor could selectively recognize Al3＋ in the presence of other competing ions. Low limit of detection （LOD） and high association constant revealed its superior sensitivity and binding affinity toward Al3＋, Besides, the probe BF performed perfectly in a reversibility test using EDTA. The mechanism of the interaction has been confirmed by 1H NMR titration. Importantly, chemosensor BF has also been utilized to detect Al3＋ on test paper strips, which showed its ootential for practical applications.

关键词： Pyrene Al3+ Colorimetric Ratiometric Chemosensor Application

Synthesis and crystal structure of an organic-inorganic complex [Cu(DMF)_3(H_2O)_2]_2[SiMo_(12)O_(40)]·2H_2O

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Rare Metals 2007年第4期26卷 377-384页

作者： WANG Jingping DU Xiaodi DUAN Xianying NIU Jingyang Institute of Molecule and Crystal Engineering School of Chemistry and Chemical Engineering Henan University Kaifeng 475001 China State Key Laboratory of coordination Chemistry Nanjing University Nanjing 210093 China

The synthesis and crystal smacture of an polyoxometalate-based organic-inorganic complex [Cu（DMF）3（H2O）212[SiMo12O40].2H2O （DMF = N, N-dimethyl formamide） is described in this article. It was characterized using elemental analysis, thermal analysis, infrared, ultraviolet, and electron spin resonance spectroscopic studies. The X-ray crystallography analysis showed that the copper centers are pentacoordinated to show the square pyramidal geometry, and the polyanion [SiMo12O40]4- which is semi-coordinated to the copper（I/） centers prevents the existence of a sixth ligand. In addition, the intracationic hydrogen interaction enhanced the stability of the copper coordination cation.

关键词： inorganic chemistry polyoxometalate crystal structure organic-inorganic complex Keggin structure

Porous Fe-Mn-O nanocomposites:Synthesis and supercapacitor electrode application

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Progress in Natural Science:Materials International 2016年第3期26卷 264-270页

作者： Guoxing Zhu Jing Yang Yuanjun Liu Xulan Xie Zhenyuan Ji Jinxiu Yin Xiaoping Shen School of Chemistry and Chemical Engineering Jiangsu University State Key Laboratory of coordination Chemistry Nanjing University School of Environmental and Chemical Engineering Jiangsu University of Science and Technology

Transition metal oxide micro-/nanostructures demonstrate high potential applications in energy storage devices. Here, we report a facile synthesis of highly homogeneous oxide composites with porous structure via a coordination polymer precursor, which was prepared with the assistance of tartaric *** typical product, Fe-Mn-O composite was demonstrated here. The obtained Fe-Mn-O product was systemically characterized by X-ray powder diffraction, scanning electron microscopy, transmission electron microscopy, elemental mapping analysis, and X-ray photoelectron spectroscopy. It was demonstrated that the Fe-Mn-O nanocomposite shows interconnected porous structure, in which iron,manganese, and oxygen are uniformly distributed. In addition, the Fe-Mn-O nanocomposite was then fabricated as capacitor electrodes. Operating in an aqueous neutral solution, the Fe-Mn-O composite electrodes showed an wide working potential window from 0.2 to 1.0 V(vs. SCE), and a specific capacitance of 86.7 Fg-1or 0.4 Fcm-2at a constant current density of 1 Ag-1with good cycle life. This study offers a new precursor approach to prepare porous metal oxide composites, which would be applied in energy-storage/conversion devices, catalysts, sensors, and so on.

关键词： Oxide Fe-Mn-O Porous structure Capacitors Electrodes

Studies on solid state reactions of coordination compounds *** state syntheses of a family of Ag-Mo(W)-S cubane-like cluster compounds:Crystal structures of{Ag_3MoS_3I}(PPh_3)_3S and{Ag_3WS_3Cl}(PPh_3)_3S·0.5P(S)Ph_3·3H_2O^+

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Chinese Journal of Chemistry 1993年第2期11卷 126-136页

作者： LANG,Jian-Ping BAO,Shi-An ZHU,Hui-Zhen XIN,Xin-Quan coordination Chemistry Institute,Nanjing University,Nanjing 210008YU,Kai-Bei Chengdu Center of Analysis and Measurement,Chinese Academy of Sciences,Ckengdu 610015 coordination Chemistry Institute Nanjing University Nanjing 210008 Chengdu Center of Analysis and Measurement Chinese Academy of Sciences Chengdu 610015

Reactions of[NH_4]_2[MS_4](M=Mo,W),AgX(X=Cl,Br,I,CN,SCN)and PPh_3 in the solid state produced six new mixed-metal sulfur containing cluster compounds,two of which,{Ag_3MoS_3I}(PPh_3)_3S(1)and{Ag_3WS_3Cl}(PPh_3)_3S·0.5P(S)Ph_3·3H_2O(2),were determined by single crystal X-ray *** crystal data:1,triclinic,P(?),a=12.114(2),b=13.420(2), c=20.346(3)(?),α=74.53(1),β=86.73(1),γ=63.74(1)°,Z=2,R=0.043 for 4805 independent data;2,hexagonal,R3,a=b=16.201(3),c=45.091(10)(?),Z=6,R=0.042 for 2729 independent *** central unit{Ag_3MS_3X}(M=Mo,W;X=Cl,I)of the two compounds can be des- cribed as a slightly distorted cube,four corners being formed by the MS_4^(2-) ligand(with a ter- minal S atom).The remaining corners are occupied by one X(Cl or I)atom and three Ag atoms(with one PPh_3 ligand bound to each of the latter).The generation of different types of Ag-Mo(W)-S cluster compounds prepared from solid state reactions under different reaction temperatues is discussed.

关键词： Ag CI Mo WS

Making FAIR Easy with FAIR Tools:From Creolization to Convergence

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Data Intelligence 2020年第1期2卷 87-95,305页

作者： Mark Thompson Kees Burger Rajaram Kaliyaperumal Marco Roos Luiz Olavo Bonino da Silva Santos Leiden University Medical Center Leiden2333 ZAThe Netherlands GO FAIR international Support&coordination Office(GFISCO) LeidenThe Netherlands

Since their publication in 2016 we have seen a rapid adoption of the FAIR principles in many scientific disciplines where the inherent value of research data and,therefore,the importance of good data management and data stewardship,is *** has led to many communities asking“What is FAIR?”and“How FAIR are we currently?”,questions which were addressed respectively by a publication revisiting the principles and the emergence of FAIR ***,early adopters of the FAIR principles have already run into the next question:“How can we become(more)FAIR?”This question is more difficult to answer,as the principles do not prescribe any specific standard or ***,there does not yet exist a mature ecosystem of tools,platforms and standards to support human and machine agents to manage,produce,publish and consume FAIR data in a user-friendly and efficient(i.e.,“easy”)*** this paper we will show,however,that there are already many emerging examples of FAIR tools under *** paper puts forward the position that we are likely already in a creolization phase where FAIR tools and technologies are merging and combining,before converging in a subsequent phase to solutions that make FAIR feasible in daily practice.

关键词： FAIR data FAIR in practice FAIR tools FAIR application support creolization and convergence