1989 Fiscal Year Final Research Report Summary
Developments of analytical methods of dynamical structures by NMR and their applications
| Project/Area Number |
63470005
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| Research Category |
Grant-in-Aid for General Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
物理化学一般
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| Research Institution | KYOTO UNIVERSITY |
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Principal Investigator |
TERAO Takehiko Kyoto Univ. Science Professor, 理学部, 教授 (50093274)
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| 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)
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| Project Period (FY) |
1988 – 1989
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| Keywords | SASS / deoxycholic acid / cyclodextrin / ferrocene / chemical shift anisotropy / フェロセン / MM2分子力場計算 |
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| 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.
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[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
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[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
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