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In-Silico Prediction of Pd_Catalyzed Cross-Coupling Processes: Dibenzylidene Acetone (dba) Ligand Control

Fairlamb, I.J.S. and Lee, A.F. (2007) In-Silico Prediction of Pd_Catalyzed Cross-Coupling Processes: Dibenzylidene Acetone (dba) Ligand Control. Organometallics, 26 (17). pp. 4087-4089. ISSN 0276-7333

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Abstract

DFT calculations allow us to predict the electronic properties of dba-n,n‘-Z ligands and thereby control the reactivity of their corresponding Pd0 complexes in Suzuki−Miyaura, α-arylation, and Heck cross-couplings.

Item Type: Article
Institution: The University of York
Academic Units: The University of York > Chemistry (York)
Depositing User: York RAE Import
Date Deposited: 06 Mar 2009 15:51
Last Modified: 06 Mar 2009 15:51
Published Version: http://dx.doi.org/10.1021/om700617r
Status: Published
Publisher: ACS American Chemical Society
Identification Number: 10.1021/om700617r
URI: http://eprints.whiterose.ac.uk/id/eprint/7138

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