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Developments of analytical methods of dynamical structures by NMR and their applications

Research Project

Project/Area Number 63470005
Research Category

Grant-in-Aid for General Scientific Research (B)

Allocation TypeSingle-year Grants
Research Field 物理化学一般
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

TERAO Takehiko  Kyoto Univ. Science Professor, 理学部, 教授 (50093274)

Co-Investigator(Kenkyū-buntansha) NAITO Akira  Kyoto Univ. Science Instructor, 理学部, 助手 (80172245)
IMASHIRO Fumio  Kyoto Univ. Science Instructor, 理学部, 助手 (30108980)
Project Period (FY) 1988 – 1989
Project Status Completed (Fiscal Year 1989)
Budget Amount *help
¥7,900,000 (Direct Cost: ¥7,900,000)
Fiscal Year 1989: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 1988: ¥6,900,000 (Direct Cost: ¥6,900,000)
KeywordsSASS / deoxycholic acid / cyclodextrin / ferrocene / chemical shift anisotropy / フェロセン / MM2分子力場計算 / SASS / 固体NMR / 2次元粉末スペクトル
Research Abstract

l.A probe and a computer software necessary for this project were made.
2.The C-H dipolar/C-13 chemical shift 2D powder patterns for the two inequivalent formate ions in calcium formate were measured using 3D SASS NMR. The 2D powder pattern visualizes the subtle vibtationally- induced asymmetry of the dopolar coupling tensor, and the direction of anisotropic vibtaion. This approach is useful for studies of small- amplitude motions.
3.lD NMR techniques for separately obtaining individual powder patterns for chemically distinct nuclei using selective rf irradiation and switching of the spinner axis are proposed, which considerably save time compared with the previous 2D approaches.
4.The C-13 chemical-shift powder pattern of guest ferrocene molecule enclathrated in deoxycholic acid was separately observed by SASS NMR.
5.The C-13 chemical-shift powder patterns of the guest ferrocene molecules enclathrated in and cyclodextrin compounds were separatel observed by SASS NMR.
6.MM2 molecular mechanics calculations for deoxycholic-ferrocene and cyclodextrin-ferrocene inclusion compounds were performed.

Report

(3 results)
  • 1989 Annual Research Report   Final Research Report Summary
  • 1988 Annual Research Report
  • Research Products

    (33 results)

All Other

All Publications (33 results)

  • [Publications] T.Nakai: "Determination of ^<13>C Chemical shift tensor orientations in cis-and trans-polyacetylene by measurements of two-dimensional NMR powder patterns in rotating solids" Chem.Phys.Lett.145. 90-94 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T.Yamabe: "^<13>C Solid-state NMR study of polyacenic materials" Phys.Rev.B. 37. 5808-5810 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T.Nakai: "Measurements of two-dimensional NMR powder patterns in rotating solids" J.Chem.Phys.88. 6049-6058 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] F.Imashiro: "Crystal structure of 1,4,9,10-tetramethyltryptycene and barriers to rotation of bridgehead-methyl groups in 1,4,9,10-tetramethyl-and 1,4-dichloro-9,10-dimethyl-tryptycene" J.Chem.Soc.Perkin.Trans.II. 1401-1408 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] K.Akasaka: "Proton spin-lattice relaxation in a solid protein Streptomyces subtilisin inhibitor.Enhancement of Segmental motions by adsorbed water" Canad.J.Chem.66. 2014-2017 (1988)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] F.Imashiro: "Study on conformations of n-alkanes in urea inclusion compounds using CH dipolar switching angle sample spinning NMR and MM2 molecular mechanics calculations" J.Chem.Phys.3356-3362 (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T.Nakai: "Determination of the ^<13>C Chemical Shift Tensors in Isotactic Polypropylene via the Two-Dimensional Powder Pattern in Rotating Solids" Magn.Reson.Chem.27. 666-668 (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T.Nakai: "Influence of small-amplitude motions on two-dimensional N.M.R.powder patterns Anisotropic vibrations in calcium formate" Mol.Phys.67. 839-847 (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] J.Ashida: "ID NMR separation of overlapping powder patterns by selective rf irradiation and switching-angle spinning" Chem.Phys.Lett(submitted).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] 寺尾武彦: "固体NMRの新しい展開" 化学と工業. 42. 36-40 (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] 寺尾武彦: "高分子における固体二次元NMR" 高分子. 39. 230-233 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T. Nakai, T. Terao, H. Shirakawa: "Determination of ^<13>C chemical shift tensor orientations in cis and trans polyacetylene by measurements of two-dimensional NMR powder patterns in rotating solids" Chem. Phys. Lett, 145, 90 (1988).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T. Yamabe, S. Yamanaka, K. Tanaka, T. Terao, S. Maeda, and S. Yata: "^<13>C solid-state NMR study of polyacenic materials" Phys. Rev. B37, 5808 (1988).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T. Nakai, J. Ashida, and T. Terao: "Measurements of two-dimensional NMR powder patterns in rotating solids" J. Chem. Phys., 88, 6049 (1988).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] F. Imashiro, K. Hirayama, K. Takegoshi, T. Terao, and A. Saika: "Crystal structure of 1, 4, 9, 10- tetramethyltriptycene and barriers to rotation of bridgehead-methyl groups in 1, 4, 9,10-tetramethyl- and 1, 4-dichloro-9, 10-dimethyl-triptycene" J. Chem. Soc., Perkin Trans. 2, 1401 (1988).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] K. Akasaka, K. Takegoshi, T. Terao, and S. Ganapathy: "Proton spin-lattice relaxation in a solid protein streptomyces subtilisin inhibitor. Enhancement of segmental motions by adsorbed water" Can. J. Chem., 66, 2014 (1988).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] G. C. Chingas, C. J. Lee, E. Lippmaa, K. T. Mueller, A. Pines, A. Samoson, B. Q. Sun, D. Suter, and T. Terao: "New angles in sample spinning" Proceeding of the XXIV Congress Ampere, Poznan, 1988, D62 (1988).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] F. Imashiro, D. Kuwabara, T. Nakai, and T. Terao: "Study on conformations of n-alkanes in urea inclusion compounds using CH dipolar switching-angle sample spinning nuclear magnetic resonance and MM2 molecular mechanics calculations" J. Chem. Phys., 90, 3356 (1989).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T. Nakai, J. Ashida, and T. Terao: "Determination of the ^<13>C chemical shift tensors in isotactic polypropylene via the two-dimensional powder pattern in rotating solids" Magn. Reson. Chem., 27, 666 (1989).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T. Nakai, J. Ashida, and T. Terao: "Influence of small-amplitude motions on two-dimensional NMR powder patterns. Anisotropic vibrations in calcium formate" Mol. Phys., 67, 839 (1989).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] K. T. Mueller, B. Q. Sun, G. C. Chingas, J. W. Zwanziger, T. Terao, and A. Pines: "Dynamic-angle spinning of quadrupole nuclei" J. Magn. Reson.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] "1D NMR separation of overlapping powder patterns by selective rf irradiation and switching-angle spinning" Chem. Phys. Lett, Submitted.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] T.Nakai: "Determination of the ^<13>C Chemical Shift Tensors in Isotactic Polypropylene via the Two-Dimensional Powder Pattern in Rotating Solids" Magn.Reson Chem. 27. 666-668 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] T.Nakai: "Influence of small-amplitude motions on two-dimensional NMR powder patterns Anisotropic ribrations in calciumformate" Mol Phys. 67. 839-847 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] J.Ashida: "ID NMR separation of overlapping powder patterns by selective if irradiation and switching-angle spinning" Chem Phys Lett.

    • Related Report
      1989 Annual Research Report
  • [Publications] 寺尾武彦: "固体NMRの新しい展開" 化学と工業. 42. 36-40 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] 寺尾武彦: "高分子における固体二次元NMR" 高分子. 39. 230-233 (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] T.Nakai: Chem.Phys.Lett.145. 90-94 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] T.Yamabe: Phys.Rev.B. 37. 5808-5810 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] T.Nakai: J.Chem.Phys.88. 6049-6058 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] F.Imashiro: J.Chem.Soc.Perkin.Trans.II. 1401-1408 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] K.Akasaka: Canad.J.Chem. 66. 2014-2017 (1988)

    • Related Report
      1988 Annual Research Report
  • [Publications] F.Imashiro: J.Chem.Phys.(1989)

    • Related Report
      1988 Annual Research Report

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Published: 1988-04-01   Modified: 2016-04-21  

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