Theoretical study of the dissociation of hydrogen fluoride and the fluoronium ion in water

Juan Bertran Rusca

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    4 Citations (Scopus)

    Abstract

    Semiempirical calculations have been performed on the dissociation of HF and [H2F]+ in water. New conformations of the initial species are obtained by allowing bond making as well as bond breaking to occur, showing that the appearance of new species is related to geometrical restrictions placed on the water molecules solvating the system.
    Original languageEnglish
    Pages (from-to)254-256
    JournalJournal of the Chemical Society Dalton Transactions
    Issue number2
    DOIs
    Publication statusPublished - 1 Dec 1979

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    Bertran Rusca, J. (1979). Theoretical study of the dissociation of hydrogen fluoride and the fluoronium ion in water. Journal of the Chemical Society Dalton Transactions, (2), 254-256. https://doi.org/10.1039/DT9790000254