Understanding the reaction mechanism of the oxidative addition of ammonia by (PXP)Ir(i) complexes: the role of the X group

J. Munarriz, E. Velez, M. A. Casado, V. Polo
2018 Physical Chemistry, Chemical Physics - PCCP  
A mechanistic study on the kinetics and thermodynamics of the oxidative addition of ammonia for a set of five [(PXP)Ir] pincer complexes (X = B, CH, O, N, SiH) is performed combining electron localization function and interacting quantum atoms methodologies.
doi:10.1039/c7cp07453k pmid:29238771 fatcat:y4wx5qqwmvdkdiiankritwj6cy