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Π–Π Stacking Complex Induces Three‐Component Coupling Reactions To Synthesize Functionalized Amines

Tong Zhang, Jaro Vanderghinste, Andrea Guidetti, Sabine Van Doorslaer, Giovanni Barcaro, Susanna Monti, Shoubhik Das

2022Angewandte Chemie International Edition34 citationsDOI

Abstract

π-π stacking and ion-pairing interactions induced the generation of α-amino radicals under the irradiation of visible light without the requirement of an expensive photocatalyst. This strategy enabled the construction of functionalized amines via three-component coupling reactions with broad scope (we report >50 examples with an up to 90 % yield). This synthetic pathway also delivered complex functionalized amines with a very high yield. Quantum chemistry Density Functional Theory (DFT) calculations identified π-π stacked ionic complexes; time-dependent DFT was employed to simulate the absorption spectra, and nudged elastic band (NEB) methodology provided a possible interaction/reaction picture of the selected species.

Topics & Concepts

StackingYield (engineering)Density functional theoryRadicalChemistryIonic bondingPhotochemistryCoupling reactionPairingQuantum yieldComputational chemistryPhotocatalysisComponent (thermodynamics)Absorption (acoustics)Combinatorial chemistryIonMaterials scienceCatalysisOrganic chemistryComposite materialSuperconductivityFluorescencePhysicsThermodynamicsMetallurgyQuantum mechanicsRadical Photochemical ReactionsCatalytic C–H Functionalization MethodsSulfur-Based Synthesis Techniques
Π–Π Stacking Complex Induces Three‐Component Coupling Reactions To Synthesize Functionalized Amines | Litcius