New accepted manuscript!
Congratulations to CHOCO members Anders & Kathrin and their collaborators, Luca Frediani & Luigi Genovese & their groups, to this just accepted JCTC article on polarizabilities and multiwavelets. Less CO2-oriented than our usual work, but we have hidden a CO2 molecule inside – can you find it?
(Btw – also this article is open access thanks to the agreement between UiT and ACS!)
Congratulations to CHOCO members Marc F. Obst and Kathrin H. Hopmann on their recently published article!
Although the catalytic carboxylation of unactivated alkyl electrophiles has reached remarkable levels of sophistica-tion, the intermediacy of (phenanthroline)Ni(I)-alkyl species – complexes proposed in numerous Ni-catalyzed reductive cross-coupling reactions – has been subject to speculation. Herein, we report the synthesis of such elusive (phenanthro-line)Ni(I) species and their reactivity with CO2, allowing us to address a long-standing question related to metal-catalyzed carboxylation reactions.
For more articles by the CHOCO group, visit our Publications page.
This issue of Organometallics is on CO2 conversion!
The latest issue of the journal Organometallics, published just yesterday, is a special issue on CO2 conversion, with our own Assoc. Prof. Kathrin H. Hopmann as editor. Be sure to read the editorial she has written with Prof. N. Iwasawa from the Tokyo Institute of Technology and Prof. N. Hazari from Yale University !
She also designed the cover in collaboration with Dr. J. Darmon from Princeton University.
The article from Marc Obst, Ashot Gevorgyan, Annette Bayer, and Kathrin Hopmann on Copper-Catalyzed Carboxylations is also included in this issue. Congratulations!
We are staying home but still going 🙂
The CHOCO group meetings have started again last week, and this morning we add 13 people on Zoom witnessing Ljiljana’s presentation.
Congratulations to Aya on a nice paper from her PhD work!
Here you can find a new approach on how to improve difficult carbonylative couplings:
Ismael A, Skrystrup T, Bayer A. Org. Bioorg. Chem., 2020, published. Carbonylative Suzuki-Miyaura couplings of sterically hindered aryl halides: Synthesis of 2-aroylbenzoate derivatives.
New Article Published by the CHOCO Group!
Our manuscript on the formal C-H carboxylation of unactivated arene was accepted in Chemistry A European Journal!
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!