Cover Feature: Encapsulation Enhances the Catalytic Activity of C‐N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst (ChemCatChem 20/2022)

The Cover Feature illustrates the C−N coupling of aniline and aryl bromide in cavity a supramolecular copper phenanthroline calix[8]arene catalyst. In their Research Article, R. A. Talmazan, J. Refugio Monroy co-workers showed how encapsulation an otherwise poor Cu(I) catalyst by enhances catalytic activity for between amines halides. Yields up to 92% were achieved with low loadings (2.5% mol). A multiscale computational protocol based on DFT MD simulations revealed origins drastically improved performance. More information can be found Article co-workers.