TY - JOUR
T1 - Combining Q2MM Modeling and Kinetic Studies for Refinement of the Osmium-catalyzed Asymmetric Dihydroxylation (AD) Mnemonic
AU - Fristrup, Peter
AU - Jensen, Gitte Holm
AU - Andersen, Marie Louise Nygaard
AU - Tanner, David Ackland
AU - Norrby, Per-Ola
PY - 2006
Y1 - 2006
N2 - The interactions between the substrate and the ligand in the Sharpless AD reaction have been examined in detail, using a combination of substrate competition experiments and molecular modeling of transition states. There is a good agreement between computational and experimental results, in particular for the stereoselectivity of the reaction. The influence of each moiety in the second-generation ligand (DHQD)2PHAL on the rate and selectivity of the reaction has been elucidated in detail.
AB - The interactions between the substrate and the ligand in the Sharpless AD reaction have been examined in detail, using a combination of substrate competition experiments and molecular modeling of transition states. There is a good agreement between computational and experimental results, in particular for the stereoselectivity of the reaction. The influence of each moiety in the second-generation ligand (DHQD)2PHAL on the rate and selectivity of the reaction has been elucidated in detail.
U2 - 10.1016/j.jorganchem.2005.11.009
DO - 10.1016/j.jorganchem.2005.11.009
M3 - Journal article
SN - 1872-8561
VL - 691
SP - 2182
EP - 2198
JO - Journal of Organometallic Chemistry
JF - Journal of Organometallic Chemistry
ER -