A New Molecular Approach toward Liquid-phase Chemical Reactions

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The aim of this cooperative research is to understand the solvent effect on molecular basis as the interaction between a solute and solvent molecules. For this purpose the following approaches were adopted.(1) Cluters as a model of solvated molecules Small van der Waals clusters can be served as a model of solute molecules solvated by a small number of solvent molecules. In this case, the structure of the cluster can be determined using spectroscopic measurement and hence the details of the molecular interaction can be discussed. In the case of large clusters, the structure can be estimated from the thermodynamic data and fragmentation pattern. Using such clusters of a given structure, intramolecular chemical reaction and energy transfer have been studied.(2) Using Supetcritical fluid as solvent A polar molecules dissolved in supercritical fluid was found to be surrounded by solvent fluid molecules and served as an independently solvated molecule at room temperature. Isomerization and charge-transfer reactions were studied for this particular solvated molecules.(3) fragmentation of liquid solution into vacuum Jet expansion of liquid solution was found to forms the molecular size fragments and these fragments were proved to reflect the real structure of solution phase especially in the case of hydrogen-bonded solvent.(4) femt-second observation of the motion of solvent molecules The ultra-fast motion of solvent molecules were followed after photo-ionization and photo-induced charge-transfer reactions.(5) Reactions in matrix Reactions of radical cations were studied in glassy matrix at 77K and the information of the effect of molecular interaction on chemical reactions can be inferred.Two meetings were held this year on the topics and the development of the above five research fields and hot discussions there helped individual attendant to develop his research project both experimentally and theoretically.