Entries by dimocat

Generation of H2 by an Environmental Friendly Mn-Catalyzed Reaction

A pure computational paper by the DIMOCAT team of IQCC has been undertaken to favour the generation of H2  , once known experimentally by Milstein and coworkers that Mn-pincer could catalyze the acceptorless dehydrogenative coupling of nitriles and alcohols to yield acrylonitriles. The reaction mechanism proposed in that work contained some intermediates that, in most […]