Mechanistic studies of transition metal catalysts
Title: Mechanistic studies of transition metal catalysts
SNIC Project: SNIC 2021/5-154
Project Type: SNIC Medium Compute
Principal Investigator: Pher Andersson <>
Affiliation: Stockholms universitet
Duration: 2021-04-05 – 2022-05-01
Classification: 10405


Catalytic asymmetric hydrogenation using hydrogen gas is one of the best methods to induce chirality in prochiral compounds due to high enantioselectivity and atom-economy. For the past two decades, the Andersson group has gained experience in the field of iridium-catalyzed asymmetric hydrogenation. During this period, novel N,P-ligands were developed and applied in the hydrogenation of various classes of substrates, including challenging aliphatic- and tetrasubstituted olefins. Recent developed protocols include advances in regioselective hydrogenation of dienes, synthesis of chiral fluorine motifs and dynamic kinetic resolution of allylic alcohols. In order to understand the mechanism for these reactions DFT calculations are necessary.