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《Journal of Northeast Normal University (Natural Science Edition)》 2005-01
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A DFT study on structure,energy gap and spectrum property of the conjugated polymer poly(2,5-furylene vinylene)

TAN Ke~1,SUN Li-li~2,QIN Chun-sheng~2 (1.College of Environment Ecosystem and Engineering,Changchun University,Changchun 130022,China; 2.Faculty of Chemistry,Northeast Normal Unviersity,Changchun 130024,China)  
The ground-state geometries of oligomers were fully optimized using the density functional theory and B3LYP/6-31G method.The results of the optimized structures for the oligomeric molecules of the PFV(n=1~4)show that the structural changes softly with increasing chain length in the series of PFV.And it suggests that we can describe the basic structures of the polymers as their oligomers.The linear extrapolation technique was empolyed in this research,the linearity between the calculated energy gap,maximal absorpton wavelengths of the oligomers is excellent for the series of oligomers.Thus,the value of the polymers can be obtained by extrapolating the resulatant linear relationship to infinite chain length.
【Fund】: 国家自然科学基金资助项目(20243003);; 吉林省杰出青年基金资助项目(20005511)
【CateGory Index】: O633
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【Citations】
Chinese Journal Full-text Database 2 Hits
1 GAO Hong-ze, DUAN Hong-xia, ZU Wei, CHENG Hong, QIU Yong-qing, SU Zhong-min (Institute of Function Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China);Ab initio and DFT study on stability of [Si(S_2Ph)_n]~(m±)(n=1~3)[J];Journal of Northeast Normal University (Natural Science Edition);2000-02
2 YAN Li-kai, LAN Ya-qian,SU Zhong-min,SHAO Chen, LI Bao-li,LIU Dong-bo, LI Xue-zhi, WANG Zhan-liang, YANG Shou-jiang, WANG Rong-shun (Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China);Influence of acidity, temperature and initiator on syntheesis and properties of starch graft copolymerization super water-absorbent resin[J];Journal of Northeast Normal University (Natural Science Edition);2002-03
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 YUE Shu-meiSYAN Li-kai,TANG Yan-ru,SU Zhong-min (Faculty of Chemistry,Northeast Normal University,Changchun 130024,China);Preparation of Starch Polyether Polyols Catalyzed by HPA[J];Journal of Changchun Teachers College;2004-05
2 YAN Li-kai, LAN Ya-qian,SU Zhong-min,SHAO Chen, LI Bao-li,LIU Dong-bo, LI Xue-zhi, WANG Zhan-liang, YANG Shou-jiang, WANG Rong-shun (Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China);Influence of acidity, temperature and initiator on syntheesis and properties of starch graft copolymerization super water-absorbent resin[J];Journal of Northeast Normal University (Natural Science Edition);2002-03
3 DU Xiguang1,CHEN Li1,LIANG Qizhi2,CHEN Xuesi2(1Faculty of Chemistry,Northeast Normal University, Changchun 130024,China;2Changchun Institute of Applied Chemistry,Chinese Academy of Sciences ,Changchun 130022,China);Synthesis and characteriaztion of glycolide[J];Journal of Northeast Normal University (Natural Science Edition);2003-03
4 DU Xiguang1,CHEN Li1,LIANG Qizhi2,CHEN Xuesi2(1Faculty of Chemistry,Northeast Normal University, Changchun 130024,China;2 Changchun Institute of Applied Chemistry,Chinese Academy of Science,Changchun 130022,China);Synthesis and characterization of homopolycylycolic acid[J];Journal of Northeast Normal University (Natural Science Edition);2003-03
5 YAO Xin-jiana,ZHANG Bao-dongb,CHEN Kanga,HUO Yun-Jiea (a. Chemistry Department, b. Base Teaching Department for 5 year's Training School,Zhoukou Normal College,Zhoukou 466000,Henan,China);Study on Synthesis of High Water-absorption Resin by Corncob[J];Hubei Agricultural Sciences;2009-02
6 XI Guo-xi,LIANG Rui,XU Hui-dao(The Key Laboratory for Environmental Pollution Control of Henan Province,College of Chemistry and Environmental Science of Henan Normal University,Xinxiang 453007,China);Thermal Decomposition Kinetics of Sodium Polyacrylate[J];Journal of Henan Normal University(Natural Science);2009-02
7 LIU Shen1,KUANG Chun-tao1,WANG Zhong-wu2 and WU Wu-jie1(1.College of Material Science and Engineering,Central South University of Forestry and Technology,Changsha 410004,China;2.College of Engineering,Hunan Normal University,Changsha 410081,China);Study on Preparation of Starch Based Super Absorbent Polymer and Effect Factors of Water Absorptive Properties[J];Chemistry and Adhesion;2007-03
8 ZHONG Zhen-sheng,CHEN Yan-kai,FAN Li-fei,GAI Chun-hui (School of Chemistry and Chemical Engineering,South China University of Technology,Guangzhou 510641,Guangdong,China);Synthesis and Swelling Performance of Starch Grafted Super Absorbent Polymer Crosslinked by Aluminum Chloride[J];Fine Chemicals;2009-01
9 ;A Study of Performance of Crosslinked-Carboxymethyl Cassava Starch Prepared by Roller Process[J];Cereal & Feed Industry;2005-04
10 BAI Feng-xia,WANG Fei(College of Chemical Engineering,Nanjing Forestry University,Nanjing 210037,China);Preparation of super Absorbent resin from cotton flock fibers[J];Journal of Nanjing Forestry University(Natural Sciences Edition);2009-01
【Secondary Citations】
Chinese Journal Full-text Database 9 Hits
1 GAO Hong-ze, DUAN Hong-xia, ZU Wei, CHENG Hong, QIU Yong-qing, SU Zhong-min (Institute of Function Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China);Ab initio and DFT study on stability of [Si(S_2Ph)_n]~(m±)(n=1~3)[J];Journal of Northeast Normal University (Natural Science Edition);2000-02
2 SU Zhong min 1,2 , SUN Shi ling 1,DUAN Hong xia 1, CHEN Li hua 1,REN Aimin 2,FENG Ji kang 2 (1 Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024,China; 2.Institute of Theor;The theory study of molecule design, electronic spectrum and the third-order nonlinear optical property of the ramifications of opposite bisbenzene ethylene tumbled with 1,3-squaric acid[J];Journal Fo Molecular Science;2001-01
3 Zheng Kangcheng Huang Jiaduo Xu Zhitao Liu Hanqin (School of Chem & Chem Eng, Zhongshan University, Guangzhou,510275);The Study on Vanadium o -Mercaptophenolate Bidentate Complexes with ab initio Calculation[J];JOURNAL FO MOLECULAR SCIENCE;1999-01
4 LIN Run xiong,WNAG Ji wei (Research institute of Jilin Chemical Industrial Corporation.Jilin City 132021,China);Study and Development on Super Absorbent Resin[J];POLYMER BULLETIN;2000-02
5 Wang JiexinChen Jianding(Institute of Material Science, East China University of Science and Technology, Shanghai200237);Advanced Development of Superabsorbent Polymer[J];JOURNAL OF FUNCTIONAL POLYMERS;1999-02
6 Zhao ShuZhi;Cui Yuanchen(Department of Chemistry and Chemical Engineering,Henan University);Recent Progress in Super Absorbent Resin[J];JOURNAL OF HENAN UNIVERSITY (NATURAL SCIENCE);1994-03
7 Liu Song(China textile industry university,Shanghai,200051);DEVELOPING TREND OF HIGH WATER-ABSORBING POLYMER MATERIAL AT HOME AND ABROAD[J];NEW CHEMICAL MATERIALS;1999-03
8 Zhou Meng Lin Jianming Li Guoqing Wu Jihuai (College of Chem. Eng., Huaqiao Univ., 362011, Quanzhou);Preparing Overabsorbent of Water by Graft Polymerization of Starch and Acrylamide[J];JOURNAL OF HUAQIAO UNIVERSITY(NATURAL SCIENCE);1999-04
9 Liu Di Zhi JiWu (Inner Mongolia Polytetechnic University,Huhhot,010062);Study on the Synthesis of the High Water Absorbent Resin by Inverse Suspension Polymerization Method[J];INNER MONGOLIN PETROCHEMICAL INDUSTRY;1998-04
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