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Quantum Mechanical Simulation Methods for Studying Biological Systems pp 215–234Cite as

The Photodetachment of an Electron from a Chloride Ion in Water Studied by Quantum Molecular Dynamics Simulation

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Part of the book series: Centre de Physique des Houches ((LHWINTER,volume 4))

Abstract

The UV absorption spectra of halide ions constitute a unique class of electronic spectra [1]. The electronic transitions in solvated halides involve bound excited states which are no property of the ion, but exist due to the stabilizing potential created by the surrounding solvent molecules. Therefore an electron promoted to these so-called charge transfer to solvent (CTTS) states [1] is not bound to the ion and could eventually separate from the parent to become trapped by the solvent. In fact, it was recently possible to directly observe the electron photodetachment from various aqueous halides by means of ultrashort time-resolved spectroscopy [2, 3, 4].

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Author information

Authors and Affiliations

  1. Laboratoire de Physique Théorique des Liquides, Université Pierre et Marie Curie, 4, place Jussieu, 75252, Paris Cedex 05, France

    A. Staib & D. Borgis

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  1. A. Staib
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  2. D. Borgis
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Editors and Affiliations

  1. Institut de Biologie Structurale, Laboratoire de Dynamique Molculaire, 41 avenue des Martyrs, 38027, Grenoble Cedex 1, France

    Dominique Bicout  & Martin Field  & 

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© 1996 Springer-Verlag Berlin Heidelberg

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Staib, A., Borgis, D. (1996). The Photodetachment of an Electron from a Chloride Ion in Water Studied by Quantum Molecular Dynamics Simulation. In: Bicout, D., Field, M. (eds) Quantum Mechanical Simulation Methods for Studying Biological Systems. Centre de Physique des Houches, vol 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-09638-3_9

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  • DOI: https://doi.org/10.1007/978-3-662-09638-3_9

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-60869-1

  • Online ISBN: 978-3-662-09638-3

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