Computations on Oppenauer oxidations – running

The aim of the project is the exploration of the Oppenauer oxidation of lithium alkoxides with aldehydes and ketones employing DFT and ab initio computations. Besides the substituent effects, the role of the solvent (explicit, implicit) on the thermodynamics and kinetics of the reaction will also be studied.

Project owner:
Pánczél János Károly (Szervetlen és Analitikai Kémia Tanszék)
Szervetlen és Analitikai Kémia Tanszék (VBK-IAACHEM)