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
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (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 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:7138 |
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