Photochemical mechanism of DEACM uncaging: a combined time-resolved spectroscopic and computational study
Carsten Hamerla, Carsten Neumann, Konstantin Falahati, Jan von Cosel, Luuk J. G. W. van Wilderen, Madhava Shyam Niraghatam, Daniela Kern-Michler, Nicole Mielke, Matiss Reinfelds, Alexandre Rodrigues‐Correia, Alexander Heckel, Jens Bredenbeck, Irène Burghardt
Abstract
, DEACM-Carb, and DEACM-T, the DEACM-SCN system exhibits a barrierless path towards dissociation, resulting in an ultrafast photocleavage component in agreement with experiment.
Topics & Concepts
ChemistryTime-dependent density functional theoryPhotochemistryPicosecondDihedral angleDensity functional theoryAzideDissociation (chemistry)Computational chemistryMoleculePhysical chemistryHydrogen bondOpticsLaserPhysicsOrganic chemistryPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics researchPhotochemistry and Electron Transfer Studies