Solvent-dependent nonadiabatic dynamics and excited-state branching of cis-stilbene from QM/MM-MD simulations.
Cis-stilbene exhibits ultrafast excited-state dynamics in solution, where photoisomerization and photocyclization compete on the picosecond timescale and are strongly influenced by solvent polarity. Despite extensive experimental studies, the molecular-level mechanism by which solvent environments control nonadiabatic...