Catalytic Action of a Single Water Molecule in a Proton-Migration Reaction

摘要

Water, the most ubiquitous and fundamental solvent on earth, is a critical component in many physical and chemical processes in chemistry, biology, and geochemistry. In aqueous chemical reactions, for example, the process of hydration has a marked effect on the stabilities of products in chemical reactions. Moreover, the catalytic action of water is implied in many reactions of fundamental importance such as acid-base reactions and prototropic tautomerization, and in basic biological function that involve proton transfer. In bulk systems, however, it is difficult to trace the detailed steps of proton migration and to clarify the microscopic role of water in the reaction. Only averaged data is experimentally available in the bulk because of its complexity and inhomo-geneity.