D
David Balcells
Researcher at University of Oslo
Publications - 83
Citations - 4452
David Balcells is an academic researcher from University of Oslo. The author has contributed to research in topics: Catalysis & Reaction mechanism. The author has an hindex of 30, co-authored 78 publications receiving 3912 citations. Previous affiliations of David Balcells include University of Montpellier & Autonomous University of Barcelona.
Papers
More filters
Journal ArticleDOI
C-H bond activation in transition metal species from a computational perspective
TL;DR: The reactivity of pMMO has been explored by Chan,525 by means of DFT calculations on small models of Figure 116 and nonradical mechanism proposed in the Yoshizawa model of sMMO.
Journal ArticleDOI
Highly Active and Robust Cp* Iridium Complexes for Catalytic Water Oxidation
Jonathan F. Hull,David Balcells,James D. Blakemore,Christopher D. Incarvito,Odile Eisenstein,Gary W. Brudvig,Robert H. Crabtree +6 more
TL;DR: A series of Cp*Ir catalysts are the most active known by over an order of magnitude for water oxidation with Ce(IV).
Journal ArticleDOI
Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis
James D. Blakemore,Nathan D. Schley,David Balcells,Jonathan F. Hull,Gerard W. Olack,Christopher D. Incarvito,Odile Eisenstein,Gary W. Brudvig,Robert H. Crabtree +8 more
TL;DR: DFT calculations and kinetic experiments suggest a mechanism for homogeneous iridium-catalyzed water oxidation and contribute to the determination of the rate-determining step.
Journal ArticleDOI
Mechanism of Homogeneous Iridium-Catalyzed Alkylation of Amines with Alcohols from a DFT Study
TL;DR: In this article, a three-step reaction pathway consisting of Ir-catalyzed alcohol dehydrogenation to aldehyde, amine-aldehyde condensation to imine, and then Ir-caralyzed imine hydrogenation to amine was studied.
Journal ArticleDOI
Design of a Versatile and Improved Precatalyst Scaffold for Palladium-Catalyzed Cross-Coupling: (η3-1-tBu-indenyl)2(μ-Cl)2Pd2
Patrick R. Melvin,Ainara Nova,David Balcells,Wei Dai,Nilay Hazari,Damian P. Hruszkewycz,Hemali P. Shah,Matthew T. Tudge +7 more
TL;DR: The development of (η3-1-tBu-indenyl)2(μ-Cl)2Pd2, a versatile precatalyst scaffold for Pd-catalyzed cross-coupling, which is more active than commercially available and compatible with a range of NHC and phosphine ligands.