Recent PostsVisiting Scholarship with the Tilley group at UC Berkeley Open-Access Gold(III) at Dalton Transactions Watch us on YouTube! Development of new hydroamination catalysts published in ACS Catalysis Keynote speaker at the Girona Seminar Review on Catalytic Water Oxidation Published in Adv. Organomet. Chem. Ainara Nova is awarded with a FRIPRO Young Talent grant Laia Vilella gained her PhD degree! Computational and experimental design of new palladium indenyl cross-coupling catalysts Research stay at the group of Carme Rovira (University of Barcelona)
During a period of 3 months (Feb-May'17), and thanks to the support of the CTCC, I enjoyed a visiting scholarship at the Department of Chemistry of UC Berkeley. I was hosted by the group of Prof. Tilley, where I used my expertise on computational chemistry to contribute to the study of cobalt-oxide cubanes modified by edge-Co-by-Mn substitution and other structural modifications.
Thanks to the support of the University of Oslo, our two recent articles in Dalton Transactions on gold(III) chemistry, 1) Coordination and insertion of alkenes and alkynes in AuIII complexes: nature of the intermediates from a computational perspective and 2) Small-molecule activation at Au(III): metallacycle construction from ethylene, water, and acetonitrile, will be Open-Access available. Enjoy!
My last presentation at the CTCC (Center of Excellence for Theoretical and Computational Chemistry) is posted on YouTube! The title is Challenging TD-DFT in Catalyst Design Aimed at Water Oxidation and Carbon Dioxide Reduction. In the CTCC YouTube channel, open & free to the worldwide Internet, you can also see the talks by Roberto Di Remigio on the PCMSolver and Kenneth Ruud on Relativistic Effects on Chemistry. Enjoy!
Thanks to a grant from the Peder Sather Center for Advanced Studies, in the summer of 2013 Alexandra E. Strom (now at the Jamison group in the MIT) visited Oslo for 3 months with the aim of learning computational chemistry. This evolved into a long and challenging project involving both theory and experiments. The mechanistic model found in these studies has allowed for the development of new rhodium catalysts supported by aryl-phosphine ligands for the intramolecular hydroamination reaction. This work was co-supervised by Prof. John Hartwig at UC Berkeley and was recently published in the ACS Catalysis journal. Congratulations Allie!
On April 19th, I contributed as Keynote Speaker to the Girona Seminar held in Catalunya@Spain and organized by Prof. Swart. The theme of the conference this year was Predictive Catalysis: Transition-Metal Reactivity by Design. My talk, entitled Off-Cycle Chemistry Optimization in Catalyst Design, focused on our collaborative work in Pd- and Ni-catalyzed Suzuki-Miyaura cross-coupling reactions with Prof. Hazari at Yale. This included work from Damian Hruszkewycz, Patrick Melvin, Louise Guard, Megan Beromi and Ainara Nova.
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© D. Balcells, except where noted.