Abstract
The minimum energy paths (MEP) for the photochemical processes involving short chain linear protonated Schiff bases (PSB) and short chain polyenes have been computed. The results show that the photochemistry of the studied PSB and polyenes is driven by different S1 excited states (ionic 1Bu-Iike and covalent 2Ag respectively). The structures of the corresponding energy surfaces rationalise the observed ultrafast photochemistry and dynamics.
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References
F. Bernardi, M. Olivucci, and M. A. Robb, Chem. Soc. Rev. 25, 321, 1996 and references cited therein.
M. Garavelli, P. Celani, F. Bernardi, M. A. Robb and M. Olivucci, J. Am. Chem. Soc. 119, 6891, 1997 and references cited therein.
M. Garavelli, T. Vreven, P. Celani, F. Bernardi, M. A. Robb and M. Olivucci, J. Am. Chem. Soc. 120, 1285, 1998.
M. Garavelli, P. Celani, F. Bernardi, M. A. Robb and M. Olivucci, J. Am. Chem. Soc. 119, 1 1487, 1997.
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Garavelli, M., Bernardi, F., Olivucci, M., Robb, M.A. (1998). Potential Energy Surfaces for Ultrafast Photochemistry: Short Chain Polyenes and Protonated Schiff Bases. In: Ultrafast Phenomena XI. Springer Series in Chemical Physics, vol 63. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-72289-9_185
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DOI: https://doi.org/10.1007/978-3-642-72289-9_185
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