Azobenzene photoswitches in bulk materials.
A nonadiabatic two-scale quantum-classical dynamics method is developed to allow for dynamical simulation of photoinduced processes and reactions in chemically complex condensed-matter systems such as photosensitive liquid crystals. A first application to photoswitching of azobenzene in the bulk reveals not only valuable insights into the excited-state dynamics underlying the cis to trans transformation, but also into the influence of the condensed phase environment on mechanism and relaxation time scales compared to vacuum.
Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Marcus
M
Böckmann
Nikos L
NL
Doltsinis
Dominik
D
Marx