Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited-State Relaxation
نویسندگان
چکیده
منابع مشابه
Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited‐State Relaxation
Electronic structure calculations and nonadiabatic dynamics simulations (more than 2000 trajectories) are used to explore the Z-E photoisomerization mechanism and excited-state decay dynamics of two arylazopyrazole photoswitches. Two chiral S1 /S0 conical intersections with associated enantiomeric S1 relaxation paths that are barrierless and efficient (timescale of ca. 50 fs) were found. For th...
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ژورنال
عنوان ژورنال: Angewandte Chemie International Edition
سال: 2016
ISSN: 1433-7851
DOI: 10.1002/anie.201607373