A Predictive Screening Tool to Evaluate the Efficiency of Z/E Photoisomerizable Molecular Switches
Marco Marazzi,
Cristina Garcia-Iriepa,
Luis Manuel Frutos
Abstract:The evaluation of the Z/E photoisomerization efficiency is an essential task to design novel photoactive molecular devices based on this type of photoreactivity. In this study, a predictive tool to screen the photoinduced Z/E isomerization efficiency of molecular switches is presented, based on three key properties: i) structure of the ground state minimum, ii) nature of the electronic transition populating the optically bright state, and iii) the presence of crossings between the optically bright state and th… Show more
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