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[DPEPhosbcpCu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst
Published on: May 21, 2019
Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the
Baswanth Oruganti1,2, Jun Wang3, Bo Durbeej1
1Division of Theoretical Chemistry, IFM, Linköping University, Linköping SE-58183, Sweden.
Abstract:
Quantum chemical calculations are performed to explore if the reactivity of diarylethene switches toward photocyclization can be controlled by the excited-state aromaticity of their bridging π-linker. Using an archetypal diarylethene with a non-aromatic π-linker as a reference, completely different outcomes are found when the π-linker is allowed to become either aromatic (no reaction) or antiaromatic (fast reaction) upon photoexcitation. The results demonstrate a possibility to use the excited-state aromaticity concept for actual modulation of photochemical reactivity.
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