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Chinese Journal of Structural Chemistry 2018年第9期37卷 1479-1485页

作者：安燕燕卢丽萍朱苗力 Institute of molecular Science Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry Shanxi University key laboratory of materials for energy conversion and storage of shanxi province Institute of Molecular Science Shanxi University

The title complex, [Zn3（L）2（H2 O）2]n（1, H3 L = 5-（（3-formylphenoxy）methyl）isophthalic acid）, has been synthesized under hydrothermal conditions and structurally characterized by single-crystal X-ray diffraction, IR spectroscopy and thermogravimetric analysis. Compound 1 exhibits a 3D binodal（4,8）-connected net based on trinuclear [Zn3（COO）4] clusters with the topology symbol of（416·612）（44·62）2. It crystallizes in monoclinic system, space group P21/c, with a = 13.548（3）, b = 13.291（3）, c = 8.2750（1）？, β = 97.08（3）°, V = 1478.7（6）？3, Z = 2, Mr = 858.6 g/mol, Dc = 1.928 mg/m3, μ = 2.49 mm-1, F（000） = 864, GOOF = 1.12, the final R = 0.0457 and wR = 0.1329 for 4334 observed reflections with I 〉 2σ（I）. Additionally, the photoluminescent behaviours of 1 and H3 L have also been investigated in the solid state at room temperature.

关键词： 5-((3-formylphenoxy)methyl)isophthalic acid zinc(Ⅱ) compound crystal structure luminescent property

Capacitive Properties of the Binder-Free Electrode Prepared from Carbon Derived from Cotton and Reduced Graphene Oxide

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Chinese Journal of Chemistry 2017年第12期35卷 1844-1852页

作者： Wenhui Ma Yunzhen Chang Gaoyi Han Yaoming Xiao Dongying Fu Yahui Chang Institute of molecular Science Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province Key Laboratory of Chemical Biology and Molecular Engineering of Education Ministry Shanxi University Taiyuan Shanxi 030006 China lnstitute of Crystalline Material Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province Shanxi University Taiyuan Shanxi 030006 China

The binder-free composite films of reduced graphene oxide （rGO） and activated carbon derived from cotton （aCFC） have been fabricated and used as electrodes for electrochemical capacitors （ECs） to avoid the decrease of capacitive performance in traditional process caused by the additional binder. The optimal aCFC is prepared at 850 ℃ when the mass ratio of carbon and potassium hydroxide is 1 to 4. The optimal composite film prepared from the mass ratio of aCFC/GO = 2/1 exhibits porous structure, and has a specific surface area of 849.6 m^2·g^-1 and a total pore volume of 0.61 mL·g^-1. Based on the two-electrode system testing in 6.0 mol/L KOH electrolyte, the optimal composite has specific capacitance of about 202 Fog-1, 374 mF·cm^-2 and 116 F·cm^-3 in terms of mass, area and volume, and shows excellent rate capability and good cyclic stability （91.7% retention of the initial capacitance after 5000 cycles）. Furthermore, the assembled solid-state ECs by using KOH/polyvinyl alcohol as electrolyte show good mechanical stability and capacitive performances after repeated bending cycles. It is proved that this method is effective to fabricate binder-free electrodes for ECs and will open up a novel route for the reuse of waste cotton.

关键词： binder-free graphene activated carbon flexible film electrochemistry

How the electron-deficient Cp ligand facilitates Rh-catalyzed annulations with alkynes

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Organic Chemistry Frontiers 2022年第4期9卷 979-988页

作者： Han Gao Lingfei Hu Yanlei Hu Xiangying Lv Yan-BoWu Gang Lu School of Chemistry and chemical engineering Key Laboratory of Colloid and Interface ChemistryMinistry of EducationShandong UniversityJinanShandong 250100China key lab for materials of energy conversion and storage of shanxi province and key lab of chemical biology and molecular engineering of ministry of education Institute of Molecular ScienceShanxi UniversityTaiyuanShanxi 030006China

The mechanism and origin of the Cp^(X) ligand effects on Rh-catalyzed annulations with alkynes were inves-tigated using DFT calculations and the approach of energy decomposition analysis(EDA).The results reveal that the alkyne migratory insertion is the rate-determining step for the reactions with both acetanilide and 2-phenyl-2-propanol substrates.

关键词： catalyzed deficient insertion

Origins of regio-and stereoselectivity in Cu-catalyzed alkyne difunctionalization with CO_(2) and organoboranes

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Organic Chemistry Frontiers 2022年第4期9卷 1033-1039页

作者： Lingfei Hu Han Gao Yanlei Hu Xiangying Lv Yan-Bo Wu Gang Lu School of Chemistry and chemical engineering Key Laboratory of Colloid and Interface ChemistryMinistry of EducationShandong UniversityJinanShandong 250100China key lab for materials of energy conversion and storage of shanxi province and key lab of chemical biology and molecular engineering of ministry of education Institute of Molecular ScienceShanxi UniversityTaiyuanShanxi 030006China

The mechanism and origins of regio-and stereoselectivities of Cu-catalyzed alkyne difunctionalization with CO_(2) and trialkyl boranes were computationally *** results show that the vicinal addition to alkyne is disfavored due to the kinetical inertness of the alkyl copper *** favored geminal addition proceeds through the cationic Cu-mediated stereoselective 1,2-migration *** energy decomposition analysis indicates that theσ)(πPauli repulsion is the dominant factor for controlling the stereoselectivity.

关键词： catalyzed alkyl addition

Novel strategy for accurate tumor labeling:endogenous metabolic imaging through metabolic probes

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Science China Chemistry 2022年第12期65卷 2517-2527页

作者： Ying Wen Zhiqing Long Fangjun Huo Caixia Yin key laboratory of chemical biology and molecular engineering of ministry of education Key Laboratory of Materials for Energy Conversion and Storage of Shanxi ProvinceInstitute of Molecular ScienceShanxi UniversityTaiyuan030006China Research Institute of Applied Chemistry Shanxi UniversityTaiyuan030006China

Altered metabolism has long been recognized as a central hallmark of cancer;however,in the fluorescence imaging field,few studies have been conducted to label tumors by exploiting metabolic differences between cancer cells and normal *** this work,we successfully developed a metabolic probe MB-C for specific imaging of glutathione(GSH)dynamic metabolic *** was endogenously metabolized to produce SO_(2)via Na_(2)S_(2)O_(3) and thiosulfate sulfurtransferase,equilibrating with sulfites/***-C was allowed to be activated by GSH along with multi-fluorescence emission increased in red and green channels and further sequence-response metabolites(SO_(2))of GSH in significant fluorescence ratio change of red and green ***,such evident fluorescence ratio changes could be used to distinguish cancer cells from normal cells and identify tumor and normal ***,GSH metabolic imaging was successfully applied to accurately label tumors,which provides a new idea and practical case for the precise visualization of malignant tumors.

关键词： molecular probe metabolic imaging tumor labeling GSH

Crystal Structures,Luminescent Properties and Hirshfeld Surface Analyses of Zn(Ⅱ)and Cd(Ⅱ)Compounds Based on 1-(2-Carboxyl-phenyl)-3-(pyridin-2-yl)pyrazole

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Chinese Journal of Structural Chemistry 2018年第3期37卷 427-436页

作者：张力杨卢丽萍朱苗力冯思思高晓丽 Institute of molecular Science Key Laboratory of Chemical Biology and Molecular Engineering of the Education MinistryShanxi University key laboratory of materials for energy conversion and storage of shanxi province Institute of Molecular ScienceShanxi University Department of Chemistry Taiyuan Normal University

Two compounds,[Zn2（Hcppp）2（cppp）2（H2O）2]·2 NO3·6 H2O（1） and [Cd（Hcppp）2Cl2]· 3H2O（2）（Hcppp = 1-（2-carboxyl-phenyl）-3-（pyridin-2-yl）pyrazole）,are synthesized and characterized by IR,TGA and X-ray single-crystal/powder *** 1 crystallizes in monoclinic system,space group P21/c with a = 9.894（2）,b = 15.856（3）,c = 20.430（4） A,β = 101.70（3）°,V = 3138.5（11） A3,Z = 2,Mr = 1457.94,Dc = 1.543 g/cm^3,F（000） = 1504,R = 0.0278 and wR = 0.0749 for 6157 observed reflections（I 〉 2σ（I））.Compound 2 crystallizes in triclinic system,space group P1 with a = 9.1424（4）,b = 11.6427（5）,c = 16.1345（7） A,α = 102.6430（10）°,β = 95.4530（10）°,γ = 104.0060（10）°,V = 1605.94（12） A3,Z = 2,Mr = 767.88,Dc = 1.588 g/cm^3,F（000） = 776,R = 0.0307 and wR = 0.0764 for 6275 observed reflections（I 〉 2σ（I））.Compound 1 exhibits a binuclear structure while compound 2 shows a mononuclear *** compound 1,two cppp-ligands display the μ2-kN,N′：k O and two Hcppp ligands show the μ1-kN,N′ coordination ***,two Hcppp ligands connect one Cd（Ⅱ） cation and exhibit the μ1-kN,N′ binding mode in compound *** compounds are both studied using Hirshfeld surface analyses and 2D fingerprint *** luminescent properties are also discussed.

关键词： Hcppp zinc(Ⅱ) and cadmium(Ⅱ) compounds Hirshfeld surface luminescent properties

Organelle targetable fluorescent probes for hydrogen peroxide

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Chinese chemical Letters 2019年第10期30卷 1834-1842页

作者： Ying Wen Fangjun Huo Caixia Yin key laboratory of chemical biology and molecular engineering of ministry of education Key Laboratory of Materials for Energy Conversion and Storage of Shanxi ProvinceInstitute of Molecular ScienceShanxi UniversityTaiyuan 030006China Research Institute of Applied Chemistry Shanxi UniversityTaiyuan 030006China

Hydrogen peroxide(H2 O2), as important products of oxygen metabolism, plays an important role in many biological processes, such as immune responses and cellular signal transduction. However, abnormal production of H2 O2 can damage cellular biomolecules, which was closely associated with many ***, it is urgent to monitor the level change of H2 O2 in living cells, particularly at subcellular *** this end, a wide variety of H2 O2 fluorescent probes have been designed, developed and applied for imaging of H2 O2 in subcellular levels. In this review, we highlight the representative cases of H2 O2 fluorescent probes with mitochondria, nuclei and lysosomes-targetable ability. The review contains organelle target strategies, structures, fluorescence behavior and biological applications of these probes.

关键词： Hydrogen peroxide Fluorescence probes Mitochondria target Nuclei target Lysosomes target Living cells

Unconventional Designs for Functional Sodium-Sulfur Batteries

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energy & Environmental materials 2023年第4期6卷 405-415页

作者： Jiangfeng Ni Yichen Liu Sheng Zhu School of Physical Science and Technology Center for Energy Conversion Materials&Physics(CECMP)Jiangsu Key Laboratory of Thin FilmsSoochow UniversitySuzhou 215006China Institute of molecular Science Key Laboratory of Chemical Biology and Molecular Engineering of Education MinistryShanxi UniversityTaiyuan 030006China

Sodium-sulfur(Na–S)batteries that utilize earth-abundant materials of Na and S have been one of the hottest topics in battery *** low cost and high energy density make them promising candidates for next-generation storage technologies as required in the grid and renewable *** recent years,extensive efforts have been devoted to the diversity and functionalities of Na–S batteries,aiming to extend their potential applications across multiple temporal and spatial ***,we summarize the unconventional designs for the functionalities of Na–S batteries such as flexible batteries,solid-state cells,flame resistance,and operation at extreme *** highlighting these design strategies that help to realize the functionalities,we hope this review offers a pathway to foster the bright future of Na–S batteries in diverse applications.

关键词： flexibility multiple functionalities sodium-sulfur batteries unconventional design

Effective iron-molybdenum-disulfide counter electrodes for use in platinum-free dye-sensitized solar cells

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Science China materials 2018年第10期61卷 1278-1284页

作者： Lijun Su Yaoming Xiao Gaoyi Han Jeng-Yu Lin Jihuai Wu Institute of molecular Science Key Laboratory of Chemical Biology and Molecular Engineering of Education MinistryInnovation Center of Chemistry and Molecular ScienceKey Laboratory of Materials for Energy Conversion and Storage of Shanxi ProvinceShanxi UniversityTaiyuan 030006 Fujian key laboratory of Functional materials Huaqiao UniversityXiamen 361021 Department of chemical engineering Tatung UniversityTaipei 104

Nanocomposites of iron disulfide（FeS2） and molybdenum disulfide（MoS2） with nanosheets structure were successfully grown on the flexible titanium foils through a facile one-step hydrothermal process, and then worked as counter electrodes（CEs） in the dye-sensitized solar cells（DSSCs）. X-ray diffraction, scanning electron microscopy,transmission electron microscopy, and energy dispersive spectrometer were employed to characterize the microstructure and composition of the FeS2/MoS2. Cyclic voltammogram reveals that the catalytic activity of FeS2/MoS2 CE is higher than that of FeS2, MoS2, and platinum（Pt） CEs towards triiodide/iodide（I3^–/I^–） redox electrolyte, owing to the superior carrier transfer properties of vertical array structure and abundant catalytic active sites of FeS2/MoS2 ***, the FeS2/MoS2 CE maintains its activity after 500 cycles, exhibiting excellent electrochemical stability. Furthermore, the power conversion efficiency（PCE） of FeS2/MoS2 CE reaches 8.67%, which is higher than that of the FeS2（7.20%）,MoS2（7.38%） and Pt（8.16%） CEs.

关键词： chalcogenides composites nanostructures solvothermal catalytic properties

Jahn-Teller Effect Directed Bandgap Tuning of Birnessite for Pseudocapacitive Application

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energy & Environmental materials 2023年第3期6卷 222-228页

作者： Sheng Zhu Yuechao Wang Jinshu Zhang Jian Sheng Feng Yang Meng Wang Jiangfeng Ni Hong Jiang Yan Li Beijing National laboratory for molecular Sciences Key Laboratory for the Physics and Chemistry of NanodevicesState Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China Institute of molecular Science Key Laboratory of Chemical Biology and Molecular Engineering of Education MinistryShanxi UniversityTaiyuan 030006China Beijing National laboratory for molecular Sciences Institute of Theoretical and Computational ChemistryCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China School of Physical Science and Technology Center for Energy Conversion Materials&Physics(CECMP)Jiangsu Key Laboratory of Thin FilmsSoochow UniversitySuzhou 215006China

Birnessite M_(x)MnO_(2)(M=Na^(+),K^(+),etc.)has emerged as a promising alternative to the classical MnO_(2)material owing to its improved pseudocapacitive performance for energy *** their structure–property correlation is essential for the development and application of advanced ***,we adopt the crystal field theory and density functional simulation to reveal the structural dependence of the pseudocapacitive property of M_(x)MnO_(2).Attributing to the Jahn–Teller effect of Mn^(3+),the bandgap of Kx MnO_(2)can be tuned by changing the x value(i.e.,the Mn(III)/Mn(IV)ratio).Then,we design a narrow-bandgap K 0.25 MnO_(2)(0.84 eV),which affords a high capacitance of 415 F g^(-1)at 1 A g^(-1)and a desirable rate capability of 293 F g^(-1)at 20 A g^(-1).Operando Raman spectroscopy confirms that the Jahn–Teller induced structure evolution of[MnO_(6)]octahedron accounts for the superior pseudocapacitive behavior of K_(0.25)MnO_(2).This finding offers theoretical guidance to the design and application of birnessite materials for pseudocapacitors.

关键词： birnessite charge storage Jahn–Teller effect manganese dioxide supercapacitor