ReaxFF reactive molecular dynamics has significantly advanced the exploration of chemical reaction mechanisms in complex systems. However, it faces several challenges: (1) the prevalent use of excessi
In a previous contribution, we have reported on a convenient and high yield synthesis of the disilene trans-[(TMS)2N(η1-Me5C5)SiSi(η1-Me5C5)N(TMS)2] (2). Herein, we show the reactions of 2 with N2O a
The mechanisms of hydrogenation and dehydrogenation reactions catalyzed by a series of aliphatic PNP cobalt pincer complexes, [(PNRPiPr)CoH]+ (R = H and CH2X; X = H, Me, NH2, OMe, OH, F, and Cl) and
A one-pot cascade transformation of ketones into α-imidoketones has been developed, in which N-bromosuccinimide (NBS) provides both electrophilic bromine and nucleophilic nitrogen sources, and diazabi
