Open position at UiB
A one year researcher position in electrocatalytic CO2 reduction is now opening at the University of Bergen (Norway). The position is part of the NordCO2 consortium that CHOCO is leading. You can apply here until the 29th of January.
Looking for a PhD position?
CHOCO will soon open 2 computational PhD positions (3 years each) as part of our ITN consortium Co2perate. Submission will open on January 25th!
Read more and apply (from Jan. 25th) at Position 1 and Position 2
New Article on Copper-catalyzed carboxylation
Congratulations to Marc Obst, Ashot Gevorgyan, Annette Bayer, and Kathrin Hopmann on their recently published article!
The copper-NHC-catalyzed carboxylation of organoboranes with CO2 was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted via an inner-sphere carboxylation of an organocopper intermediate, whereas benzylic substrates may simultaneously proceed along both inner- and outer-sphere CO2 insertion pathways. Interestingly, the computations predict that two conceptually different carboxylation mechanisms are possible for benzylic organoboranes, one being copper-catalyzed and one being mediated by the reaction additive CsF. Our experimental evaluation of the computed reactions confirms that carboxylation of nonbenzylic substrates requires copper catalysis, whereas benzylic substrates can be carboxylated with and without copper.
For more articles by the CHOCO group, visit our Publications page!