Systematic control of photochemistry: the dynamics of photoisomerization of a model cyanine dye |
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Authors: | Hunt Patricia A Robb Michael A |
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Institution: | Department of Chemistry, Imperial College London, London, SW7 2AZ, United Kingdom. p.hunt@imperial.ac.uk |
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Abstract: | On-the-fly CASSCF nonadiabatic dynamics have been used to model the trans-cis isomerization of a model cyanine dye. Our results show that the photochemical generation of the trans versus cis product is dynamically controlled by the presence of an extended cis-trans conical intersection seam that persists along all torsional angles. This in turn suggests that the photochemistry could be completely controlled by controlling the distribution of momentum components in a wave packet excited by laser photolysis in a coherent control experiment. |
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