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A novel four-component reaction involving ring-opening/recyclization of 1,3-thiazolidinedione

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Science China chemistry 2010年第4期53卷 863-868页

作者： SUN Jing, XIA ErYan, ZHANG LiLi & YAN ChaoGuo college of chemistry & {2. engineering, Yangzhou university, Yangzhou 2.5002. China college of chemistry & {2. engineering Yangzhou University Yangzhou China

The multicomponent reactions of 1,3-thiazolidinedione, malononitrile, aromatic aldehydes and α-phenylethylamine or β-phenylethylamine in acetonitrile at room temperature produce dihydrothiophene ureidoformamide derivatives in moderate yields through a domino ring-opening/recyclization reaction of 1,3-thiazolidinedione. On treatment with DDQ, dihydrothiophenes are dehydrogenated to convert efficiently to thiophenes in the mild condition.

关键词： multicomponent reaction ring-opening recyclization dihydrothiophene thiazolidinedione

Investigation on Vibrational Spectra and Structures of 4-Mercaptopyridine Monomer and Its Dihydrate

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chemical Research in Chinese Universities 2006年第1期22卷 90-93页

作者： CHENG Jian-bo 1,2., XUE Wei-qing 1 , ZHAO Bing 1** , ZHANG Gang 3 and GONG Bao-an 2.1. Key Laboratory for Supramolecular Structure and Material of Ministry of Education, Jilin university, Changchun 130012. P. R. China 2. Science and engineering {2. of chemistry and Biology, Yantai university, Yantai 2.4005, P. R. China 3. State Key Laboratory of Theoretical and Computational chemistry, Jilin university, Changchun 13002., P. R. China Key Laboratory for Supramolecular Structure and Material of Ministry of Education Jiln University Changchun 130012 P. R. China Science and engineering college of {2. and Biology Yantai University Yantai 264005 P. R. China State Key Laboratory of Theoretical and Computational chemistry Jiln University Changchun 130023 P. R. China

The optimized molecular structures and vibrational frequencies of 4-mercaptopyridine(4MPY) monomer and its dihydrate were studied by means of the density functional theory(DFT), viz. B3LYP method with the 6-311++G(d,p) basis set. On the basis of the calculations, the assignments of the vibrational spectra of the monomer and the dihydrate were performed, and so were investigated the changes in the structure and the vibrational spectrum of the dihydrate as well as the intermolecular force resulting in the formation of the dihydrate. The calculated results show that each of the water molecule planes is vertical to the pyridine ring plane in the dihydrate that is formed via the H-bonds between 4MPY and water molecules. Furthermore, the structure and the vibrational spectrum of 4MPY can be consi- derably affected by the water molecules.

关键词： 4MPY Dihydrate Vibrational spectra DFT Molecular structure

Polymer-assisted nanoparticulate contrast-enhancing materials

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Science China chemistry 2010年第3期53卷 479-486页

作者： DING Yin1,3,HU Yong2.WU Wei1 & JIANG XiQun1 1Laboratory of Mesoscopic chemistry and Department of Polymer Science and engineering,{2. of chemistry & chemical engineering,Nanjing university,Nanjing 2.0093,China 2.ational Laboratory of Solid State Microstructure,Department of Material Science and engineering,Nanjing university,Nanjing 2.0093,China 3Key Laboratory of Analytical chemistry for Life Science,Ministry of Education,School of chemistry and chemical engineering,Nanjing university,Nanjing 2.0093,China Laboratory of Mesoscopic chemistry and Department of Polymer Science and engineering College of Chemistry & Chemical Engineering Nanjing University Nanjing China Key Laboratory of Analytical chemistry for Life Science Ministry of Education School of Chemistry and Chemical Engineering Nanjing University Nanjing China National Laboratory of Solid State Microstructure Department of Material Science and Engineering Nanjing University Nanjing China

The application of nanotechnology in medicine research has significant potential in modern biomedical research,disease diagnosis and *** fluorophore-based detection techniques have been widely used as imaging and signal transduction tools for the detection of trace levels of *** photosensitivity of the fluorophores,however,limits their application in such complex environments as living bio-systems where degradation or photobleaching *** nanoparticles have unique and stable optical,electrical,magnetic and catalytic properties because of their various shapes,sizes and *** potential of the nanoparticles as novel imaging agents has been studied as a possible solution to this *** modification of inorganic nanoparticles could enhance their biostability in physiological conditions and ability of targeting bioactive molecules.

关键词： contrast agent cell image gold nanoparticles iron oxide nanoparticles carbon nanotubes polymeric-inorganic hybrid nanoparticles

Preparation of Exo-tetrahydrodicyclopentadiene Using SiW/Hβ Catalyst

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China Petroleum Processing & Petrochemical Technology 2011年第3期13卷 41-46页

作者： Kang Zhuozhuo Wu Wenliang Zhou Zhiwei (college of chemistry and {2. engineering,Nanjing university of Technology,Nanjing 2.0009) college of chemistry and {2. engineering Nanjing University of Technology Nanjing 210009 China

Exo-tetrahydrodicyclopentadiene （exo-TCD） is an important high-energy fuel. Silicotungstic acid （SiW） immobilized on H-type β zeolite （Hβ） at room temperature were used to prepare the Hβ zeolite catalysts with different SiW contents. Catalytic performances of the catalysts were investigated during the preparation of exo-TCD via isomerization of endo-tetrahydrodicyclopentadiene （endo-TCD）. The properties of catalysts were characterized by XRD, temperature pro- grammed desorption of ammonia （NHa-TPD）, FT-IR, and N2.adsorption techniques. SiW was highly dispersed on the surface of Hβ zeolite, and the 10% SiW/Hβ zeolite catalyst had the highest amount of weak acidity among all SiW/Hβ zeolite catalysts. The influence of different factors on isomerization reaction was investigated. At a reaction temperature of 2.0 ℃, a n（cyclohexane） / n（endo-TCD） ratio of 10, a m（catalyst）/m（endo-TCD） ratio of 0.3, an initial pressure of 1.0 MPa, and a reaction time of 1.5 h in the presence of 10% SiW/Hβ catalyst calcined at 400 ℃, the conversion of endo-TCD reached up to 92.0%, with the yield of exo-TCD equating to 51.0%.

关键词： exo-tetrahydrodicyclopentadiene endo-tetrahydrodicyclopentadiene Hβ zeolite silicotungstic acid (SiW)

Meet Our New Editorial Board Members of Spotlights

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Chinese Journal of chemistry 2024年第16期42卷 1932-1936页

作者： Editorial Office of Chinese Journal of chemistry 不详

Editorial Board Member of *** ***,college of Materials Science and engineering Beijing {2. of chemical ***:2.06-2.10,B.S.,Materials Science and engineering,Beijing {2. of chemical Technology.2.10-2.15,Ph... 详细信息

关键词： Spotlight Editorial Board

Hydroalumination of diazo and azido compounds:An Al-H addition to end-on nitrogen of substrates

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Science China chemistry 2010年第9期53卷 1970-1977页

作者： CHU ChenHui1,YANG Ying1,2.& ZHU HongPing1 1State Key Laboratory of Physical chemistry of Solid Surfaces National engineering Laboratory for Green {2. Productions of Alcohols-Ethers-Esters college of chemistry and {2. engineering,Xiamen university,Xiamen 361005,China 2.chool of chemistry and {2. engineering,Central South university,Chang{12. 410083,China State Key Laboratory of Physical chemistry of Solid Surfaces National engineering Laboratory for Green chemical Productions of Alcohols-Ethers-Esters college of chemistry and {2. engineering Xiamen University Xiamen China School of chemistry and chemical {2. Central South University Changsha China

This paper reports the reactions of a monomeric aluminum dihydride LAlH2.L = HC[C(Me)N(Ar)]2.Ar = 2.6-i-Pr2.6H3) with diazo,azido,and terminal alkyne *** reaction of LAlH2.with N2.H(SiMe3) and N3(1-Ad) occurred through an Al-H addition to end-on nitrogen to yield respective compounds LAl[N(H)N = CH(SiMe3)]2.1) and LAl[N(H)N=N(1-Ad)]2.2.,while the reaction of LAlH2.with PhC≡CH occurred through a stepwise deprotonation to yield LAlH(C≡CPh)(5) and LAl-(C≡CPh)2.6),respectively.2.further reacted by N2.release to yield LAl[NH(1-Ad)][N(H)N=N(1-Ad)](3) and LAl[NH-(1-Ad)]2.4) upon the increased temperature *** 1-6 have been fully characterized,revealing novel reactivity patterns of LAlH2.toward different substrates under the steric influence from the bulky L ligand at Al.

关键词： hydroalumination bulky aluminum hydride multiple-bond molecule Al–H addition

Preparation and Electrocatalytic Activity of Polyaniline-poly (Propylene Oxide) Modified by Pt Nanoparticles

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Journal of Wuhan university of Technology(Materials Science) 2006年第4期21卷 9-11页

作者：李美超 college of chemical {2. and Material Science State Key Laboratory Breeding Base of Green Chemistry-Synthesis TechnologyZhejiang University of TechnologyHangzhou 310032China

The preparation and electrocatalytic activity of polyaniline-poly （ propylene oxide ）（ PAN-PPO ） modified by Pt particles （ Pt/ PAN-PPO ） were investigated. Pt/ PAN-PPO was characterized by scanning electron microscopy （SEM） and energy dispersive spectroscopy （ EDS ）. Pt particles on PAN-PPO were in the nanometer range, and dispersed in a three-dimensional distribution on the surface of PAN-PPO film. Compared with polyaniline and glassy carbon modified with Pt particles under the same conditions, Pt/PAN-PPO exhibited a high electrocatalytic activity for lysine oxidation.

关键词： aniline propylene oxide copolymer platinum electrocatalytic activity lysine

DFT Calculation of Room Temperature Ionic Liquid 1-Ethyl-3-Methyl-Imidazolium Chlorocuprate (Ⅰ)

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China Petroleum Processing & Petrochemical Technology 2008年第1期10卷 55-62页

作者： Lü Renqing Cao Zuogang (college of chemistry and {2. engineering, China university of Petroleum (East China), Dongying 2.7061) college of chemistry and {2. engineering China University of Petroleum (East China) Dongying 257061 China

The density functional theory （DFT） has been employed to investigate the electronic structures ofEMIM^＋（1-ethyl-3-methylimidazolium＋）, CuCl2.-, Cu2.l3^- and EMIM^＋-CuCl2.-, EMIM^＋-Cu2.l3^- pairs. Full optimization and frequency analyses of EMIM^＋, CuCl2.-, Cu2.l3^-, eight initial EMIM^＋-CuCl2.-, and six initial EMIM^＋-Cu2.l3^- geometries have been carried out using Gaussian-94 software-package at 6-3 I＋G （d, p） basis set level for hydrogen, carbon, nitrogen, chlorine atoms and the Hay-Wadt effective core potential for copper atoms. The electronic structures of the lowest energy of EMIM^＋-CuCl2.-, EMIM^＋-Cu2.l3^- pairs, single EMIM^＋, CuCl2.-, and Cu2.l3^- have been comparatively studied. The calculated results showed that the optimized EMIM^＋-CuCl2.- pair conformer of the lowest energy was five ring moiety parallel to CuCl2.- plane with a distance of around 3.5,A, while EMIM^＋-Cu2.l3^- pair conformer of the lowest energy was five ring moiety of EMIM^＋ perpendicular to Cu2.l3^- plane with a distance of around 3.0 ,A between terminal chlorine atoms and 5-ring plane of EMIM^＋. The cohesion between cation and anion is electrostatic interaction and C-H---Cl hydrogen bonds are reinforced by charge assistance. The frequency analyses suggested that all stationary points are minimum points because of absence of imaginary frequency. The low energy of interaction caused by bulky asymmetry of EMIM^＋, and charge dispersion of cation and anion give rise to low melting point of ionic liquids EMIM^＋-CuCl2.-, and EMIM^＋-Cu2.l3^- . The interaction energy caused by the distance between cations and anions was investigated by single point energy scan.

关键词： ionic liquid density functional theory 1-ethyl-3-methylimidazolium chlorocuprate (I)

Study on Syntheses and Characterizations of Polymethylphenethylsilane, Polymethylcyclohexylsilane and their Copolymers

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Journal of Central South university 2000年第2期12卷 92-96页

作者： HU Hui ping 1,HUANG Ke long 1,PAN Chun yue 1,CHEN De ben 2.(1 college of chemistry and {2. engineering, Central South university of Technology, Changsha 410083, China 2.Department of chemistry, Sichuan university, Chengdu 610064, China college of chemistry and {2. engineering Central South University of Technology Changsha China Department of chemistry Sichuan University Chengdu China

The effects of adding cosolvents of diglyme and 15-crown-5 to the reaction mixture of Wurtz-type coupling of dichlorosilanes on the yield and relative molecular mass dispersity of polymethylphenethylsilane(PMPES) were discussed. The results show that addition of 10%(volume ratio of diglyme to toluene) diglyme as a cosolvent to the reaction mixture leads to the yield increase of PMPES with a monomodal distribution of relative molecular masses. Adding 10%diglyme to the reaction mixtures, the yields of polymethylcyclohexylsilane(PMCS) and copolymers (polymethylphenethylsilane-co-methylcyclohexylsilane), (the molar ratios of methylphenethyldichlorosilane to methylcyclohexyldichlorosilane were 2.0, 1.0 and 0.5, and the copolymers were abbreviated by Copolymers I, II, III, respectively) are 47%, 52., 54%, 53%, respectively. Their relative molecular masses ([`(M)]w )(\bar M_w ) almost reach 105. These polysilanes were characterized by 1H-NMR, IR and UV absorption spectrum.

关键词： polysilane cosolvent synthesis characterization