Younesi, Y, Nasiri, B, BabaAhmadi, R et al. (3 more authors) (2016) Theoretical rationalization for the mechanism of N-heterocyclic carbene-halide reductive elimination CuIII, AgIII and AuIII. Chemical Communications, 52 (28). pp. 5057-5060. ISSN 1359-7345
Abstract
Reductive elimination of imidazolium salts from CuIII is extremely sensitive to the anionic ligand (X or Y) type on Cu (e.g. ΔG‡ ranges from 4.7 kcal mol−1 to 31.8 kcal mol−1, from chloride to benzyl). Weakly σ-donating ligands dramatically accelerate reductive elimination. Comparison with Ag/Au shows that the HOMO energy, strength of M–NHC and M–Y bonds and inherent stability of MIII with respect to MI are critical to governing reaction feasibility.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2016, Royal Society of Chemistry. This is an author produced version of a paper published in Chemical Communications. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Inorganic Chemistry (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 28 Apr 2016 11:48 |
Last Modified: | 14 Apr 2017 02:11 |
Published Version: | http://dx.doi.org/10.1039/c6cc01299j |
Status: | Published |
Publisher: | Royal Society of Chemistry |
Identification Number: | 10.1039/c6cc01299j |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:95986 |