Computational chemistry provides a versatile toolbox for studying mechanistic details of
catalytic reactions and holds promise to deliver practical strategies to enable the rational in …

Noyori-type catalysts have found numerous applications in research and industrial settings.
The central mechanistic component of such catalysts is a metal centre coordinated to a N–H …

The high efficiency of widely applied Noyori-type hydrogenation catalysts arises from the N–
H moiety coordinated to a metal centre, which stabilizes rate-determining transition states …

Rapidly emerging application of organometallic manganese complexes incorporating less
elaborated mono-and bidentate donor ligands in catalytic hydrogenation, transfer …

Homogeneously catalyzed reactions often make use of additives and promotors that affect
reactivity patterns and improve catalytic performance. While the role of reaction promotors is …

Recent developments in manganese-catalyzed reducing transformations—hydrosilylation,
hydroboration, hydrogenation, and transfer hydrogenation—are reviewed herein. Over the …

Effective assessment of catalytic performance is the foundation for the rational design and
development of new catalysts with superior performance. The ubiquitous …

Deprotonation of the MnI NHC‐phosphine complex fac‐[MnBr (CO) 3 (κ2P, C‐
Ph2PCH2NHC)](2) under a H2 atmosphere readily gives the hydride fac‐[MnH (CO) 3 (κ2P …

Exploration of the chemical reaction space of chemical transformations in multicomponent
mixtures is one of the main challenges in contemporary computational chemistry. To remove …

Alcohol-assisted hydrogenation of carbon monoxide (CO) to methanol was achieved using
homogeneous molecular complexes. The molecular manganese complex [Mn (CO) 2Br [HN …