Pi-Pi stacking and ion-pairing interactions induced the generation of ?-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 ?-? 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.
Π–Π Stacking Complex Induces Three-Component Coupling Reactions To Synthesize Functionalized Amines
Giovanni Barcaro;Susanna Monti;
2022
Abstract
Pi-Pi stacking and ion-pairing interactions induced the generation of ?-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 ?-? 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.| File | Dimensione | Formato | |
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prod_473735-doc_193090.pdf
Open Access dal 14/10/2023
Descrizione: "This is the peer reviewed version of the following article: T. Zhang, J. Vanderghinste, A. Guidetti, S. V. Doorslaer, G. Barcaro, S. Monti, S. Das, Angew. Chem. Int. Ed. 2022, 61, e202212083; Angew. Chem. 2022, 134, e202212083, which has been published in final form at https://doi.org/10.1002/anie.202212083. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited."
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Descrizione: Pi-Pi Stacking Complex Induces Three-Component Coupling Reactions To Synthesize Functionalized Amines
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