The increasing demand for advanced energy storage in applications like wearable electronics, electric vehicles, and renewable technologies encourages the growth of advanced supercapacitor materials.
DFT and statistical learning allow mapping the electronic substrate effects on a Cu-catalyzed Suzuki–Miyaura reaction between iodobenzenes and aryl boronate esters. The resulting substrate map can be used to predict the outcome of similar reactions.
A ligand-free nickel-catalyzed tandem carbocyclization–arylation coupling strategy for the efficient synthesis of aryl- and heteroaryl-fused γ-lactam scaffolds.
DFT calculations indicate that the Lewis acid–base cooperation between BBr3 and NEt3 facilitates the formation of the nucleophilic species BBr4− and enables the ring-opening of N-heterocycles.
A novel catalyst-controlled regiodivergent 5-exo and 6-endo cyclization was reported. DFT calculations reveal that the bonding affinity of different metals to the aminoalkyl radical is the primary factor behind the regioselectivity.