1999 Fiscal Year Final Research Report Summary
Developments and applications of polarization transfer solid state NMR for obtaining structural information
| Project/Area Number |
10440171
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | KYOTO UNIVERSITY |
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Principal Investigator |
TERAO Takehiko Kyoto University, Graduate School of Sci., Prof., 大学院・理学研究科, 教授 (50093274)
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| Co-Investigator(Kenkyū-buntansha) |
KUBO Atsushi Kyoto University, Graduate School of Sci., Instructor, 大学院・理学研究科, 助手 (20205115)
TAKEGOSHI Kiyonori Kyoto University, Graduate School of Sci., Asso.Prof., 大学院・理学研究科, 助教授 (10206964)
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| Project Period (FY) |
1998 – 1999
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| Keywords | solid state NMR / R2TR method / SASS method / structural analysis / glycylisoleucine / 9-methylanthracene / solid state photodimerization / polarization transfer |
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| Research Abstract |
The purposes of this research based on polarization transfer phenomena are developments and applications of structure determinations of a uniformly labeled molecule in a powder sample (A) and determination of relative positions of selectively labeled molecules.
(A)"1D exchange deuteron sample-tuning NMR" (J.Magn.Reson., 1999), "ィイD113ィエD1C-ィイD113ィエD1C polarization transfer by resonant interference recoupling" (Solid State Nucl. Magn. Reson. 1999, Chem. Phys. Lett., 1999), and "3D structure determination of a molecule by R2TR" (J.Am.Chem.Soc., 1999) were developed. The 3D structure of uniformly ィイD113ィエD1C, ィイD115ィエD1N-labeled glycylisolecine was determined by applying the last technique. This is the first determination of a complete molecular structure by solid state NMR.
(B)The locus of the photodimerization reaction of 9-methylanthracene in the crystal was examined via the polarization transfer between the dimers, and the reaction was concluded to occur at defects of the crystal (Solid State Nucl.Magn.Reson., 1998). The optical resolution mechanism in the cholic-acid/γ-valerolactone (VAL) inclusion compound was examined via the intermolecular polarization transfer, and the arrangements of Sand Renantiomers ware shown to follow the Marcov process.
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