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Critical Size for Intracluster Proton Transfer from Water to an Anion

Authors

  • Israel Wolf,

    1. The Sackler School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, 69978 Tel Aviv (Israel), Fax: (+972) 3-6499-293
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  • Avraham Shapira,

    1. The Sackler School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, 69978 Tel Aviv (Israel), Fax: (+972) 3-6499-293
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  • Rina Giniger Dr.,

    1. The Sackler School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, 69978 Tel Aviv (Israel), Fax: (+972) 3-6499-293
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  • Yifat Miller Dr.,

    1. Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, 91904 Jerusalem (Israel)
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  • R. Benny Gerber Prof.,

    1. Department of Physical Chemistry and The Fritz Haber Research Center, The Hebrew University, 91904 Jerusalem (Israel)
    2. Department of Chemistry, University of California, Irvine, CA 92697 (USA)
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  • Ori Cheshnovsky Prof.

    1. The Sackler School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, 69978 Tel Aviv (Israel), Fax: (+972) 3-6499-293
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  • The research was supported by the Israel Science foundation Grant No 257-01 and the United States–Israel Binational Science Foundation (BSF) grants 2000-333 and 2004-401 and James Franck German Israeli Program. B.G. was supported by NSF through the EMSI at UC Irvine (Grant No 0431312) and CRC project 0209719.

Abstract

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Bigger is better: Proton transfer in the electronic ground state for (C6H5NH)⋅ (H2O)n has been investigated by photoelectron spectroscopy. At a critical size of n=3, one proton of a water molecule is captured by the deprotonated aniline to form solvated OH (see picture). These experimental observations are supported by ab initio calculations that establish the greater stability of the solvated OH anion for n≥3.

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