Quantum Chemical Study of Alkali-metal-ion Complexation Mechanism of Mushroom Pigments

-Research Activity Report on “Computational Science Research Collaboration” Project-

Abstract

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.