Systematic Control of Photochemistry: The Dynamics of Photoisomerization of a Model Cyanine Dye

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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.