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Solvation of Alkali Halides in Alcohol Clusters

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Physics and Chemistry of Small Clusters

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Abstract

The strong electrostatic interaction between Li+ and I- ions is screened in the presence of polar solvent molecules, eventually resulting in the dissociation of Li+-I-ion pairs. In order to better understand this-solvation process, mass spectrometry experiments and total energy calculations have been carried out on alcohol clusters containing varying amounts of LiI. Clusters of a given size are found to possess a large number of stable configurations all of which are present, simultaneously, in a cluster beam. The form of the most abundant cluster changes with changing temperature in order to simultaneously minimize energy and maximize entropy. Despite this complexity, several general conclusions can be made. Solvation in clusters occurs in two stages with increasing alcohol content. First, ion pairs are isolated from one another. The ion pairs then dissociate into individual ions. At low temperatures the most stable configurations correspond to evenly distributed, symmetric arrangements of alcohol molecules about Li ions. When the number of alcohol molecules per Li ion reaches the value 4, the Li-I distance increases abruptly and the alkali halide fragment “dissolves” in the cluster.

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Authors and Affiliations

  1. Max-Planck-Institut fuer Festkoerperforschung, 7000, Stuttgart 80, Germany

    T. P. Martin & T. Bergmann

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  1. T. P. Martin
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  2. T. Bergmann
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Editors and Affiliations

  1. Virginia Commonwealth University, Richmond, Virginia, USA

    P. Jena , B. K. Rao  & S. N. Khanna ,  & 

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© 1987 Plenum Press, New York

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Martin, T.P., Bergmann, T. (1987). Solvation of Alkali Halides in Alcohol Clusters. In: Jena, P., Rao, B.K., Khanna, S.N. (eds) Physics and Chemistry of Small Clusters. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0357-3_89

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  • DOI: https://doi.org/10.1007/978-1-4757-0357-3_89

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-0359-7

  • Online ISBN: 978-1-4757-0357-3

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