きのこ色素のアルカリ金属イオン錯体化機構の量子化学研究

―「計算科学共同研究」研究報告―

抄録

The author is conducting the Project “Computational Science and Scientific Visualization Research Collaboration”. In one of its research topics, the author is carrying out a quantum chemical study for understanding the mechanism of alkali-metal-ion complexation of mushroom pigments. This article focuses on one of the famous mushroom pigments called “chalcitrin” and reports the structures of its alkali-metal-ion complexes of this compound as well as their energetics.