Physics
Scientific paper
Jun 2009
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confere03z&link_type=abstract
"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec
Physics
Mini-Symposium: Conical Intersections
Scientific paper
The photochemistry of a prototype push-pull merocyanine is discussed using a simple three state model. As a derivative of butadiene, two isomerization reactions may take place, around the two double bonds of the butadiene backbone. As a molecule substituted by an electron donor and electron acceptor at opposite ends, its structure as well as its photochemistry are expected to be strongly affected by the environment. It is shown that varying the solvent polarity or the electric field, can lead to different photochemical products. In particular, the existence of conical intersections is found to depend on these external parameters. This work provides a theoretical foundation for ideas expressed by Squillacote et al.* concerning the electrostatic control of photochemical reactions. *Squillacote, M.; Wang, J.; Chen, J. J. Am. Chem. Soc. 2004, 126, 1940.
Haas Y.
Kahan A.
Xu Xian-Feng
Zilberg S.
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