Developments and applications of polarization transfer solid state NMR for obtaining structural information

The purposes of this research based on polarization transfer phenomena are developments andapplications of structure determinations of a uniformly labeled molecule ina powder sample (a) and(A)" 1d exchange deuteron " 1d exchange deuteronsample-tuning NMR" (J.Magn.Reson., 1999)，“ D1C- D113 D1C polarization transfer by resonant interference recoupling” （Solid State）Nucl. Magn. Reson. 1999, Chem. Phys. Lett., 1999)，“ 3d structure determination of a molecule by R2TR” (J.Am.Chem.Soc.，1999) were developed. The 3d structure of uniformly D113 D1C，D1N-labeled glycylisolecine was determined by applying the last technique. This is the firstdetermination of a complete molecular structure by solid state NMR.(B)The locus of Thephotodimerization reaction of 9-methylanthracene in the crystal was examined via the polarizationtransfer between the dimers，and the reaction was concluded to occur at the crystal （Solid State Nucl.Magn.Reson）. The optical resolution mechanism in The cholicy -acid/γ-valerolactone (VAL) inclusion compoundwas examined the intermolecular polarization transfer，and the arrangements of Sand Renantiomers ware shown to follow the Marcov进程。

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.