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In situ preparation of Nanoparticles/polymer composites

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Science china(Technological Sciences) 2008年第11期51卷 1886-1901页

作者： SUN HaiZhu & YANG Bai state key Lab of Supramolecular Structure and materials, College of Chemistry,{3., changchun 130012. china College of Chemistry, Northeast Normal university, changchun 13.024, china state key Lab of Supramolecular Structure and materials College of Chemistry Jilin University Changchun China College of Chemistry Northeast Normal University Changchun China

Nanoparticle (NP) is the matter between molecule and bulk material. It has attracted much attention in catalysis, optoelectronics and biology due to its unique physical and chemical properties. Incorporation of these NPs into the polymer matrix is one of the best methods to display their special functions, which not only stabilize the NPs but also realize the functional assembly of NPs and polymers. However, reali- zation of this idea depends largely on the compatibility of NPs and polymers as well as the interaction between them. Therefore, many methods have been developed to prepare the composites of NPs and polymers in order to obtain the function ex- pected. In this review, we mainly focus on the combination of in situ method with other methods to synthesize different functional one-dimension, two-dimension as well as bulk composites, which has been recently developed by our group. The most striking character of our method is the excellent compatibility between NPs and polymers which ensures a homogeneous distribution of NPs in the polymer matrix. The existence of the polymer network makes the NPs more stable, and is significant for displaying their functions.

关键词： in situ nanoparticle polymer composite function

superhard nano-multilayers and nanocomposite coatings

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Progress in Natural Science:materials International 2005年第2期15卷 2-12页

作者： BAI Xiaoming, ZHENG Weitao* and AN Tao(Department of Material Science and key laboratory of Automobile of MOE, jilin university,{3.) Lab. of Automobile of MOE Dept. of Mat. Sci. Jilin Univ. Changchun 130012 China

This paper reviews the recent development of nano-multilayers and nanocomposite coatings. The hardening mechanisms and design of hard coating are discussed in details. Recent research on Ti/TiN and nitride/nitride multilayer, Ti-Si-N and Ti-Al-Si-N nanocomposite coatings is described, and the perspectives of the related research are proposed.

关键词： nano-structured materials multilayer nanocomposite hardness

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, {3. 130012. P. R. china 2. Science and Engineering College of Chemistry and Biology, Yantai university, Yantai 264005, P. R. china 3. state key laboratory of Theoretical and Computational Chemistry, jilin university, {3. 13.023. 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 Chemistry 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. B3.YP method with the 6-3.1++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

On the temperature characteristics of phase measurement in homodyne fiber interferometer

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The Journal of china Universities of Posts and Telecommunications 2010年第2期17卷 127-130页

作者： GAO Bo,TIAN Xiao-jian ,WU Ge,RU Yu-xing,WANG Qing College of Electronic Science and Engineering ,state key laboratory of Integrated Optoelectronics,{3. university ,changchun 130012.china College of Electronic Science and Engineering State Key Laboratory of Integrated Optoelectronics Jilin University Changchun 130012 China

Different from the traditional way of using piezoelectric （PZT）phase shifter to measure phase difference, a new method is designed to calculate it between signals in the two arms of a homodyne fiber interferometer. A simple homodyne fiber interferometer system is then established to measure the interference photoeurrent and the photocurrents from the two fiber arms generated by the signal power on a temperature control plat. The homodyne fiber interferometer system is composed of fiber and sensitive to the variation of temperature. Thus, is necessary to study the temperature characteristics in the phase measurement of homodyne fiber interferometer. The experimental results show that the variation of the phase difference of signals in the two fiber arms is proportional to the variation of temperature.

关键词： homodyne fiber interferometer phase measurement temperature characteristics

Transition metal coordination polymers with polycarboxylic acid as bridging ligands:Synthesis and structure characterization of[Fe(μ_(4)-bta)_(0.5)(phen)(OH)]_(n)

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Science china Chemistry 2004年第1期47卷 10-16页

作者： XU Jiqing, CHU Deqing, YU Jiehui, WANG Tiegang & TANG AoqingCollege of Chemistry and state key laboratory of Inorganic Synthesis and Preparative Chemistry,{3., changchun 13.023. china Institute of Theoretical Chemistry,{3., changchun 13.023. china College of Chemistry and state key laboratory of Inorganic Synthesis and Preparative Chemistry Jilin University Changchun China Institute of Theoretical Chemistry Jilin University Changchun China

A new 2D (two-dimensional) coordination polymer, [Fe(μ4-bta)o.5(phen)(OH)]n (1), has been hydrothermally synthesized with FeCl3.6H2, Na4bta (h4bta = 1,2,4,5-benzentetracarboxylic acid), 1,10-phen (1,10-phenanthroline) and H2O as raw materials. The crystals of the compound belong to monoclinic P21/n space group, a = 1.0129(2) nm, b = 0.9265(2) nm, c = 1.5696(3. nm, β=91.3.(3.°V=1.4721(5) nm3.Z=3. final R1=0.0292, wR 2=0.0798 for 2572 [/>2σ(/)] observed reflections. The result of structure determination shows that in the compound each bta ligand is connected with four Fe3. forming a new μ4-coordination mode. Four deprotonated carboxylic groups of bta link to Fe3.ions alternatively through monodentate and bidentate coordination fashion, constructing 2D layer network. The measurement of variable temperature magnetic susceptibility indicates that there exist antiferromagnetic interactions between Fe3.ions in the compound. The TGA spectrum displays relatively fine thermal stability of the compound. In addition, IR and UV-Vis spectra of compound 1 have also been measured.

关键词： 2D coordination polymer, 1,2,4,5-benzentetracarboxylic acid, iron, hydrothermal synthesis, crystal structure.

Effect of solution concentration on the structured order and optical properties of short-chain polyene biomolecules

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Science china(Physics,Mechanics & Astronomy) 2010年第9期53卷 1646-1650页

作者： OUYANG ShunLi1,2,SUN ChengLin1,2,ZHOU Mi1,2,LI DongFei2,WANG WeiWei1,2,QU GuanNan1,LI ZuoWei1,2,GAO ShuQin1 & YANG JianGe3.1 state key laboratory of {3. materials,jilin university,changchun 130012.china 2 College of Physics,jilin university,changchun 13.023.china 3.The ordnance Engineering Department,Air Force Aviation university,changchun 13.022,china state key laboratory of {3. materials Jilin University Changchun China College of Physics Jilin University Changchun China The ordnance Engineering Department Air Force Aviation University Changchun China

We have measured the Raman spectra and UV-Vis absorption spectra of linear polyene biomolecules(β-carotene and lycopene) in CS2 at low concentrations(10-6-10-10 mol/L).With decreasing concentration,all the carbon-carbon vibrations form a coherent mode in ordered β-carotene and lycopene due to extended π-conjugation that gives strong electron-phonon coupling,which leads to an anomalous experimental *** observed an extremely high Raman scattering cross section(RSCS) and the Raman activities in β-carotene and lycopene are characterized by intensive overtones and ***,the UV-Vis absorption bands become narrower.

关键词： molecular structured order Raman spectroscopy Raman scattering cross section

Equilibrium and kinetic studies on the adsorption of VB_(12) onto CMK-3

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Chinese Chemical Letters 2007年第2期18卷 233-236页

作者： Zhuo Guo, Li Feng Wang, Zhan Gao, Wei Wei Zhang School of materials Science and Engineering, Shenyang Institute of Chemical Technology, Shenyang 110142, china state {3. laboratory of Inorganic Synthesis and Preparative Chemistry, jilin university, changchun 130012. china School of materials Science and Engineering Shenyang Institute of Chemical Technology Shenyang 110142 China state key laboratory of Inorganic Synthesis and Preparative Chemistry Jilin University Changchun 130012 China

The adsorption of VB12 onto CMK-3.was studied as a function of temperature and initial VB12 concentration. The highest VB12 adsorption capacity was determined as 3.3.4 mg/g at 40℃. Adsorption data were well described by the Langmuir model, although they could be modelled by the Freundlich equation. The pseudo-first-order and pseudo-second-order kinetic models were applied to test the experimental data. The pseudo-second-oider kinetic model provided the best correlation of the experimental data compared to the pseudo-nrsi-order model.

关键词： Adsorption VB12 Equilibrium Kinetic

Theoretical studies on Ru(fppz)_2(CO)L (L=N-heterocyclic ligand):Electronic structure,absorption,phosphorescence,and solvatochromism

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Science china Chemistry 2008年第12期51卷 1211-1220页

作者： LIU Tao1, ZHOU Xin1, BAI FuQuan1, ZHANG JianPo1, XIA BaoHui1,2, PAN QingJiang3.& ZHANG HongXing1 1 state key laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry,{3., changchun 13.023. china 2 College of Chemistry,{3., changchun 13.023. china 3.laboratory of Physical Chemistry, School of Chemistry and materials Science, Heilongjiang university, Harbin 150080, china state key laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun China College of Chemistry Jilin University Changchun China laboratory of Physical Chemistry School of Chemistry and Materials Science Heilongjiang University Harbin China

A series of ruthenium(II) complexes Ru(fppz)2(CO)L [fppz = 3.trifluoromethyl-5(2-pyridyl)pyrazole; L = pyridine (1), 4-dimethylaminopyridine (2), 4-cyanopyridine (3.] were designed and investigated theo-retically to explore their electronic structures, absorption, and emissions as well as the solvatochrom-ism. The singlet ground state and triplet excited state geometries were fully optimized at the B3.YP/LANL2DZ and CIS/LANL2DZ level, respectively. The HOMO of 1-3.is composed of dyz(Ru) atom and π(fppz). The LUMO of 1 and 2 is dominantly contributed by π*(fppz) orbital, but that of 3.is con-tributed by π*(L). Absorption and phosphorescence in vacuo, C6H12, and CH3.N media were calculated using the TD-DFT level of theory with the PCM model based on the optimized ground and excited state geometries, respectively. The lowest-lying absorption of 1 and 2 at 3.7 and 3.1 nm is attributed to {[dyz(Ru) + π(fppz)] → [π*(fppz)]} transition, but that of 3.at 479 nm is assigned to {[dyz(Ru) + π(fppz)] → [π*(L)]} transition. The phosphorescence of 1 and 2 at 43. and 43. nm originates from 3.[dyz(Ru) + π(fppz)] [π*(fppz)]} excited state, while that of 3.at 606 nm is from 3.[dyz(Ru) + π(fppz)] [π*(L)]} excited state. The calculation results showed that the absorption and emission transition character can be changed from MLCT/ILCT to MLCT/LLCT transition by altering the substituent on the L ligand. The phosphorescence of 1 and 2 does not have solvatochromism, but that of 3.at 606 nm (vacuo), 584 nm (C6H12), and 541 nm (CH3.N) is strongly dependent on the solvent polarity, so introducing elec-tron-withdrawing group on ligand L will induce remarkable solvatochromism.

关键词： ruthenium complex DFT phosphorescence solvatochromism

Theoretical studies on the spectroscopic properties and the substituent effects of pyridyl triazole Os(Ⅱ) complexes

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Science china Chemistry 2009年第3期52卷 261-265页

作者： WU YuHui, ZHOU Xin & ZHANG HongXing state key laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry,{3., changchun 13.023. china state key laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun China

To explore the spectroscopic properties of pyridyl triazole Os(Ⅱ) complexes and how the substituent effects affect the spectroscopic properties of [Os(ptz)2L2] (L=PH3. ptzH=(2-pyridyl)-1,2,4-triazole) (1), [Os(bptz)2L2] (bptzH=3.tert-butyl-5-(2-pyridyl)-1,2,4-triazole) (2), [Os(fptz)2L2] (fptzH=3. (trifluoreomethyl)- 5-(2-pyridyl)-1,2,4-triazole) (3., and [Os(fbtz)2L2] (fbtzH=3.(trifluoreomethyl)-5-(4-tert-butyl- 2-pyridyl)-1,2, 4-triazole) (4), the density functional theory (DFT) method at the B3.YP level was used to optimize the geometrical structures in the ground and excited state. The absorption and emission properties of the dichloromethane solution were predicted at the time-dependent density functional theory (TD-DFT, B3.YP) level associated with the PCM solvent effect model, the transitions characters of them were assigned. Important correlations between substituent effects and emission spectra and the quantum yield have been obtained by comparing and analyzing the calculated results.

关键词： pyridyl triazole Os(Ⅱ) complexes excited state density functional theory TD-DFT substituent effects