Crystal structure and vibrational spectra of (2-isobutyrylamidophenyl)amine: a redox noninnocent ligand.

The molecular structure of (2-isobutyrylamidophenyl)amine (HL) has been determined from single-crystal X-ray diffraction data. The crystal packing of HL is governed by the N-H···O and C-H···O hydrogen-bonding and C-H···π stacking interactions between the vicinal molecules. The intermolecular interactions in the crystal structure of HL have been also examined via Hirshfeld surface analysis and fingerprint plots.

Correction: Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.

[This corrects the article DOI: 10.1039/D0SC02066D.].

Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.

Key mechanistic features of the cobalt-mediated and aminoquinoline-directed dehydrogenative aryl-aryl coupling were investigated computationally and experimentally. A series of Co and Co complexes relevant to the proposed reaction cycle have been synthesized and characterized. Stoichiometric reactions and electrochemical studies were used to probe the role of different additives in the reaction pathway.

The Mechanism of Rhodium-Catalyzed Allylic C-H Amination.

Herein, the mechanism of catalytic allylic C-H amination reactions promoted by Cp*Rh complexes is reported. Reaction kinetics experiments, stoichiometric studies, and DFT calculations demonstrate that the allylic C-H activation to generate a Cp*Rh(π-allyl) complex is viable under mild reaction conditions. The role of external oxidants in the catalytic cycle is elucidated.

Correction: The "new normal": Adapting doctoral trainee career preparation for broad career paths in science.

[This corrects the article DOI: 10.1371/journal.pone.