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Z. Sun, C. -K. Siu, O. P. Balaj, M. Gruber, V. E. Bondybey, and M. K. Beyer. Proton Transfer in Ionic Water Clusters. Angew. Chem. Int. Ed. , 45, pp. 4027-4030, 2006.

Abstract: Current works in cluster chemistry focus on extrapolating information on bulk properties from gas-phase cluster experiments. Concerted proton transfer by the Grotthuss mechanism is a key step in aqueous reactions, especially in acid–base chemistry. This process has recently been studied in bulk solution by time-resolved spectroscopy as well as ab initio molecular-dynamics simulations. Understanding the conditions for the occurrence of proton transfer in finite clusters is of paramount importance for our qualitative picture of the chemistry of water clusters and their relation to bulk aqueous solution.

Keywords: clusters, gas-phase reactions, isotopic labeling, proton transfer, water chemistry


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