希少糖単結晶および単分子における安定構造と電子状態

茅原静佳, 山内彰史, 大賀俊輔, 田原康宏, 石井知彦, 深田和弘, 何森健, 吉田裕美, 神鳥成弘, 坂根弦太

rare sugar
A monosaccharide can be separated into two sugar groups depending on its natural abundance in nature, one is a natural sugar and the other is called a rare sugar. We have investigated the electronic structure of racemic sugar single crystal with D- and L-sugars in order to discuss the chemical stability, intermolecular interaction via a hydrogen bonding, and the reactivity in comparison with the normal chiral D- or L-sugar compound. In the X-ray crystal structure analyses, both diffraction patterns of chiral D- and L-sugar crystals should be same completely. On the other hand, it is expected that the X-ray diffraction pattern must be changed significantly of a racemic compound having a quite different lattice parameter from just only the mixture with the crystals of D- and L-sugar crystals. In our study we calculated the electronic structures of four ketohexose D,L-racemic crystals by means of DV-Xα molecular orbital calculation in order to discuss the changing the crystal stability after creating a racemic compound from the original D- or L- chiral sugar monomer crystal.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

24

1&2

120

123