Stereocontrolled Construction of Multi-Chiral [2.2]Paracyclophanes via Cobaltaphotoredox Dual Catalysis.

-/-disubstituted multichiral [2.2]-paracyclophanes (PCPs) represent privileged scaffolds for asymmetric catalysis, finding extensive applications as chiral ligands in organic synthesis and functional materials. However, enantioselective C-H activation strategies for accessing these structurally demanding molecules remain largely underexplored.

Parametrization of κ-,-Oxazoline Preligands for Enantioselective Cobaltaelectro-Catalyzed C-H Activations.

Enantioselective electrocatalyzed C-H activations have emerged as a transformative platform for the assembly of value-added chiral organic molecules. Despite the recent progress, the construction of multiple C(sp)-stereogenic centers via a C(sp)-C(sp) bond formation has thus far proven to be elusive. In contrast, we herein report an annulative C-H activation strategy, generating chiral Fsp-rich molecules with high levels of diastereo- and enantioselectivity.

Iron-Catalyzed C-H Alkylation/Ring Opening with Vinylbenzofurans Enabled by Triazoles.

We report an unprecedented iron-catalyzed C-H annulation using readily available 2-vinylbenzofurans as the reaction pattern. The redox-neutral strategy, based on cheap, non-toxic, and earth-abundant iron catalysts, exploits triazole assistance to promote a cascade C-H alkylation, benzofuran ring-opening and insertion into a Fe-N bond, to form highly functionalized isoquinolones. Detailed mechanistic studies supported by DFT calculations fully disclosed the manifold of the iron catalysis.

Rational Designing of Bimetallic/Trimetallic Hydrogen Evolution Reaction Catalysts Using Supervised Machine Learning.

Cost-efficient electrocatalysts to replace precious platinum group metals- (PGMs-) based catalysts for the hydrogen evolution reaction (HER) carry significant potential for sustainable energy solutions. Machine learning (ML) methods have provided new avenues for intelligent screening and predicting efficient heterogeneous catalysts in recent years. We coalesce density functional theory (DFT) and supervised ML methods to discover earth-abundant active heterogeneous NiCoCu-based HER catalysts.