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Excited-State Dynamics of Cytosine Reveal Multiple Intrinsic Subpicosecond Pathways

Authors

  • Hanneli R. Hudock Dr.,

    1. Department of Chemistry, The Beckman Institute, and Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, 600 S. Mathews, Urbana, IL 61801 (USA), Fax: (+1) 217-244-3186
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  • Todd J. Martínez Prof.

    1. Department of Chemistry, The Beckman Institute, and Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, 600 S. Mathews, Urbana, IL 61801 (USA), Fax: (+1) 217-244-3186
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Abstract

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The road not taken: Many paths diverge on the road to photodamage prevention in cytosine. Previous work has focused on determining a dominant relaxation mechanism. Ab initio excited-state molecular dynamics studies show that there is not a single dominant path, but rather many distinct paths involving different quenching mechanisms (see figure).

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Article Information

DOI

10.1002/cphc.200800649

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Copyright © 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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Keywords

  • conical intersections;
  • cytosine;
  • DNA;
  • photoelectron spectroscopy;
  • reaction mechanisms

Publication History

  • Issue online:
  • Version of record online:
  • Manuscript Received:

Funded by

  • NSF. Grant Numbers: CHE-07-19291, CHE-05-35640
  • NIH

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  3. 3Ryan J. MacDonell, Oliver Schalk, Ting Geng, Richard D. Thomas, Raimund Feifel, Tony Hansson, Michael S. Schuurman, Excited state dynamics of acrylonitrile: Substituent effects at conical intersections interrogated via time-resolved photoelectron spectroscopy and ab initio simulation, The Journal of Chemical Physics, 2016, 145, 11, 114306CrossRef
  4. 4Susan Blaser, Maria A. Trachsel, Simon Lobsiger, Timo Wiedmer, Hans-Martin Frey, Samuel Leutwyler, Gas-Phase Cytosine and Cytosine-N1-Derivatives Have 0.1–1 ns Lifetimes Near the S1State Minimum, The Journal of Physical Chemistry Letters, 2016, 7, 5, 752CrossRef
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