希少糖を配位子とした金属錯体の電子状態計算

大賀俊輔, 石井知彦, 妹尾辰也, 土屋公奈, 坂根弦太

希少糖, プシコース, アロース, グルコース, フラクトース
Rare sugar can be classified as the sugar and its derivative whose natural abundance is quite low.  For example, such as D-psicose and D-allose has been classified as a rare sugar.  On the other hand, a natural monosaccharide whose natural abundance is very high is called a natural sugar.  For example, D-glucose (that is an energy source for plants and animals) and D-fructose (it is included in a honey and fruits) exists in the natural world as a natural sugar.  There are not so large differences found in a chemical composition between a rare and a natural monosaccharides.  The chemical formula of all these hexoses can be shown in C6H12O6.  They are classified into just as a structural isomers.  In this study, we investigated the possibility of development for the synthesis of a novel metal complex with a rare sugar as a functional ligand.  We create the cluster model for the molecular orbital calculation of the metal-glycoside complex whose crystal structure data has already known as a starting model.  We also create an additional cluster models by substituting the ligand sugar molecule into a rare sugar molecule.  We carry out the electronic state calculation, andwe checked the differences of the absorption spectra and the energy level of the metal complexes with between a natural and a rare sugars.

Bulletin of the Society for Discrete Variational Xα

he Society for Discrete Variational Xα

26

1&2

209

212