Photoinduced Electron Transfer (PET)‐Mediated Fragmentation of Picolinium‐Derived Redox Probes Article Swipe

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Density functional theory Photochemistry Time-dependent density functional theory Carbazole Fragmentation (computing) Electron transfer Chemistry Photodissociation Redox Covalent bond Photoinduced electron transfer Computational chemistry Organic chemistry Operating system Computer science

Petra Dunkel , Anna Barosi , Hamid Dhimane , François Maurel , Peter I. Dalko ·

YOU? · · 2018 · Open Access · · DOI: https://doi.org/10.1002/chem.201801684 · OA: W2805351055

The photolysis of covalently linked N ‐alkyl picolinium phenylacetate—carbazole dyads was analyzed experimentally and by using density functional theory (DFT) and time dependent‐DFT (TD‐DFT) calculations. In contrast to earlier observations efficient one and two‐photon fragmentations conditions were found for 15 c ( δ u =0.16 GM at 730 nm) opening the way for the design of a novel class of “caged” compounds.