title: Systematic control of photochemistry: the dynamics of photoisomerization of a model cyanine dye.
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.
authors.affiliation: Department of Chemistry, Imperial College London, London, SW7 2AZ, United Kingdom. p.hunt@imperial.ac.uk
authors.forename: Patricia A
authors.initials: PA
authors.lastname: Hunt
authors.forename: Michael A
authors.initials: MA
authors.lastname: Robb