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Isomerization through conical intersections.

Benjamin G Levine1, Todd J Martínez

  • 1Department of Chemistry, Beckman Institute, Center for Biophysics and Computational Biology, and Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, IL 61801, USA. ben.levine@gmail.com

Annual Review of Physical Chemistry
|February 13, 2007
PubMed
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Photoinduced cis-trans isomerization requires more than two electronic states and one coordinate. Conical intersections and charge transfer are crucial for understanding this complex chemical reaction mechanism.

Area of Science:

  • Physical Chemistry
  • Photochemistry
  • Chemical Physics

Background:

  • The standard model for photoisomerization involves two electronic states and one reaction coordinate.
  • Recent studies indicate a more complex mechanism is necessary for accurate modeling.

Purpose of the Study:

  • To review and emphasize the importance of multiple electronic states and molecular coordinates in photoisomerization.
  • To highlight the roles of conical intersections and charge transfer in the photoisomerization mechanism.

Main Methods:

  • Review of recent theoretical and computational studies on photoinduced cis-trans isomerization.
  • Analysis of reaction mechanisms involving multiple electronic states and molecular coordinates.

Main Results:

Related Experiment Videos

  • The minimal model for photoisomerization necessitates at least three electronic states and two molecular coordinates.
  • Conical intersections and charge transfer play significant roles in the reaction pathway.

Conclusions:

  • The standard two-state, one-coordinate model is insufficient for describing photoisomerization.
  • A more sophisticated model incorporating conical intersections and charge transfer is essential for understanding photoinduced reactions.