Opening 2,2-diphenyl-2H-chromene to infrared light
文献信息
Benjamin H. Strudwick, Christopher O’Bryen, Hans J. Sanders, Sander Woutersen
Time-resolved vibrational spectroscopy studies are reported on the photoinduced structural dynamics of 2,2-diphenyl-2H-chromene, a prototypical photochromic compound that undergoes ring opening upon UV radiation. The transient IR absorption measurements in combination with (TD-)DFT calculations have been used to understand in detail the life cycle of such compounds. Excited-state decay and ring opening was found to occur on an ultrafast time scale. Three species have been identified in the time-resolved IR spectra with two short-lived species (on a picosecond timescale) and a final long-lived species that remains after the measurable ns delay range. These species have been assigned to various open isomers using quantum chemical calculations of equilibrium structures and force fields. From the experiments and calculations key conclusions can be drawn on previously suggested models for the photocycle of such compounds, as well as on possible ways to controllably influence the performance of these compounds.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














