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New Methodological Development for the complete Structural Analysis of Solid Fluoropolymers and Elucidation of the Structure-Properties Relation

Research Project

Project/Area Number 09044145
Research Category

Grant-in-Aid for international Scientific Research

Allocation TypeSingle-year Grants
SectionJoint Research
Research Field 高分子構造・物性(含繊維)
Research InstitutionTOKYO INSTITUTE OF TECHNOLOGY

Principal Investigator

ANDO Isao  Tokyo Institute of Technology, Faculty of Engineering, Professor, 大学院・理工学研究科, 教授 (20016637)

Co-Investigator(Kenkyū-buntansha) WEBB Graham A.  University of Surrey, Professor, 教授
HARRIS Robin K.  University of Durham, Professor, 教授
KUROSU Hiromichi  Nara Woman's University, Faculty of Apalel Science, Assoc, Professor, 生活環境学部, 助教授 (20221228)
Project Period (FY) 1997 – 1998
Project Status Completed (Fiscal Year 1998)
Budget Amount *help
¥5,300,000 (Direct Cost: ¥5,300,000)
Fiscal Year 1998: ¥1,700,000 (Direct Cost: ¥1,700,000)
Fiscal Year 1997: ¥3,600,000 (Direct Cost: ¥3,600,000)
Keywordssolid state NMR / fluoropolymer / NMR chemical shift / structure / electronic state / Tight-binding Mo / ab initio mo / 19FNMR
Research Abstract

In polymer science and technology, the advanced development of various polymer materials which ideal properties and functions is desired. The substitution of fluorine atoms into polymers leads to developments for new polymers with excellent properties and functions. To achieve this, the close relationship between physical properties and molecular structure and dynamics must be clarified precisely. Therefore, powerful techniques are required for the elucidation of this relationship. One of these is solid state NMR.
From such a background, we have studied some new methodologies for analyzing exact molecular structure and dynamics of the polymers by new techniques of NMR measurements and sophisticated NMR chemical shift calculation on the basic quantum chemical method. Ando, Kurosu and Webb have developed new theoretical methods for calculating NMR chemical shift of polymer crystal with three-dimensional and structural periodicity with the ab initio MO(molecular orbital) framework, and also of model molecules with the high-level ab initio MO framework. These have been successfully applied to various kinds of polymers. On the other hand, Harris and Ando have developed new NMR techniques for elucidating structure and dynamics of fluoropolymers and other polymers in the solid state. By using these techniques we have successfully elucidated the structure and dynamics of the polymers in the solid state. From these results, the international joint research work leads to fruitful results for polymer science and technology.

Report

(3 results)
  • 1998 Annual Research Report   Final Research Report Summary
  • 1997 Annual Research Report
  • Research Products

    (25 results)

All Other

All Publications (25 results)

  • [Publications] ISAO Ando, T, Kameda, N.Asakawa, H.Kurosu: "Structure of peptides and polypetides in the solid state as elucidated by NMR chemical shift" J.Mol.Structure. 441. 213-230 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] N.Asakawa, H.Kurosu, I.Ando: "Hydrogen-Bonded Structural Studies of Petides and polypetides by Solid State NMR" Ann.Rept.NMR・Spectroscopy. 35. 56-137 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] I.Ando, H.Kurosu, T.Yamanobe: "Modelling NMR chemical shift in polymers and amorphous matter" American Chemical Society Series. 印刷中. : (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] M.Uchida, H.Kurosu, I.Ando: "Abinitio Modevelopment of NMR chemical shift for solid state polymers with 3D periodicity" J.Mol.Structure. 印刷中. (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] R.K.Harris, G.A, Monti, P.Holitsin: "^<19>FNMR" Solid state NMR of Polymers. 253-266 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] R.K.Harris, G.A.Monti P.Molitein: "Fluoropolymer" Solid state NMR of polymers. 667-712 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] P.Kaiadakow, G.A.Webb: "FluorineNMR cheuical shit calabation of feurosoben genes" A meiicau Chemical Society Series. 印刷中. (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] Isao ANDO and Tetsuro ASAKURA: "Solid State NMR of Polymers" Elsevier Sciene, Amsterdam, 1012 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] I.Ando, T.Kameda, N.Asakawa, H.Kurosu: "Structure of peptides and polypeptides in the solid state as elucidated by NMR chemical Shift" J.Mol.Structure. 441. 213-230 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] N.Asakawa, H.Kurosu, I.Ando: "Hydrogen-bonded structural studies of peptides and polypeptides by solid state NMR" Ann.Rept.NMRSpectroscopy. 35. 56-137 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] I.Ando, N.Asakawa, G.A.Webb: "NMR chemical shift and electronic state" Solid State NMR of Polymers Elsevier, Amsterdam. 1-21 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] I.Ando, H.Kurosu, T.Yamanobe: "Modelling NMR chemical shift in polymers and amorphous matter" Amer.Chem.Soc.Series. (in press). (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] M.Uchida, H.Kurosu, I.Ando: "Ab initoio MO development of NMR chemical shift for solid state polymers with 3D periodicity" J.Mol.Structure. (in press). (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] R.K.Harris, G.A.Monti, P.Holstein: "19F NMR" Solid State NMR of Polymers, Elsevier, Amsterdam. 667-712 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] P.B.Karadakov, G.A.Webb: "Fluorine NMR chemical shift calculation of fluorobenzenes" Amer.Chem.Soc.Series. (in press). (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] I.Ando, T.Asakura (ed.): Solid state NMR of Polymers. Elsevier, Amsterdam, 1-1012 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1998 Final Research Report Summary
  • [Publications] I.Ando,T.Kameda,N.Asakawa,H.Kurosu: "Structure of peptides and polypeptides in the solid state as elucidated by NMR chemical shift" J.Mol.Structure. 441. 213-230 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] N.Asakawa,H.Kurosu,I.Ando: "Hydrogen-Bonded Structural Studies of Peptides and polypeptides by Solid State NMR" Ann.Rept.NMR Spectroscopy. 35. 56-137 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] I.Ando,H.Kurosu,T.Yamanobe: "Modelling NMR chemical shift in polymers and amorphous matter" American Chemical Society Series. (印刷中). (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] M.Uchida,H.Kurosu,I.Ando: "Abinitio MO development of NMR Chemical shift for solid state polymers with 3D periodicity" J.Mol.Structure. (印刷中). (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] R.K.Harris,G.A.Monti,P.Holstein: "^<19>F NMR" Solid State NMR of Polymers. 667-712 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] P.B.Karadakov,G.A.Webb: "Fluorine NMR Chemical Shift Calculation of Flurobenzenes" American Chemical Society Series. (印刷中). (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] Isao Ando,Tetsuo Asakura: "Solid State NMR of Polymers" Elsevier Science,Amsterdam, 1012 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] I, Ando G, A, Webb: "NMR Chemical Shift and Electronic State" Solid State NMR of Polymers. (印刷中). (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] R, K, Harris: "19FNMR of Fluoro Polymers" Solid State NMR of Polymers. (印刷中). (1998)

    • Related Report
      1997 Annual Research Report

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Published: 1997-04-01   Modified: 2016-04-21  

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