Solvation Effects on Dissociative Electron Attachment to Thymine

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    Ionizing radiation can excite the cellular medium to produce secondary electrons that can subsequently cause damage to DNA. The damage is believed to occur via dissociative electron attachment (DEA). In DEA, the electron is captured by a molecule in a resonant antibonding state and a transient negative ion (TNI) is formed. If this ion survives against electron autodetachment then bonds within the molecule may dissociate as energy is transferred from the electronic degrees of freedom into vibrational modes of the molecule. We present a model for studying the effect that transferring kinetic energy into the vibrational modes of a molecule in this way has on a DNA nucleobase. We show that when the base is in an aqueous environment, dissociation is affected by interactions with the surrounding water molecules. In particular hydrogen bonding between the nucleobase and the solvent can suppress the dissociative channel.


    • Solvation Effects on Dissociative Electron Attachment to Thymine

      Rights statement: © 2019 American Chemical Society. This work is made available online in accordance with the publisher’s policies. Please refer to any applicable terms of use of the publisher.

      Accepted author manuscript, 743 KB, PDF-document

      Embargo ends: 29/01/2020


    Original languageEnglish
    Number of pages8
    Pages (from-to)1537-1544
    JournalJ. Phys. Chem. B
    Journal publication date29 Jan 2019
    Issue number7
    Early online date29 Jan 2019
    Publication statusEarly online date - 29 Jan 2019

    ID: 164983922