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

基于这项研究的极化转移现象的目的是发展和应用，以确定粉末样品（A）中统一标记的分子的结构确定，并确定选择标记的分子的相对位置。（A）"1 D exchange deuteron sample-tuning NMR" （J.Magn.Reson.，1999）、“D113 D1C-D113 D1C polarization transfer by resonant interference recoupling”（Solid State Nucl.Magn.Reson.）1999年，Chem.Phys.Lett.，1999）， and“3D structure determination of a molecule by R2TR”（J. Am. Chem. Soc.，1999年，它得到了发展。The 3D structure of uniformly y D113 y D1C，y D115 y D1N-labeled glycylisolecine is determined by applying the last technique。这是对固体状态核磁共振的完整分子结构的第一个确定。（B）晶体中9-甲基苯丙胺的光二聚化反应的位置是通过稀释剂之间的极化转移进行测试的，而这种反应被合并到了晶体中的缺陷（固体状态Nucl. Magn. Reson）。一九九八年）。Cholic-acid/γ-Valerolactone（VAL）包含复合物中的光学解决机制通过分子极化转移进行了测试，并显示了沙子和复核体软件将跟随Markov过程的安排。

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.