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Issue 28, 2012
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Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles

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Abstract

The relative ligand donor strengths of 10 pyrazole-derived ligands has been determined with great accuracy, making use of the interdependence between the donor strength of the co-ligand and the 13C NMR chemical shift of the iPr2-bimy carbene signal in trans-[PdBr2(iPr2-bimy)L] complexes (iPr2-bimy = 1,3-diisopropylbenzimidazolin-2-ylidene; L = pyrazole-derived ligand). Even subtle variations in the substitution pattern of the pyrazole backbone up to three bonds away from the coordinating nitrogen could be detected reliably using this methodology. Alkylation experiments conducted on the pyrazoles using electrophiles of varied reactivity (ethyl bromide, ethyl iodide, and trimethyloxonium tetrafluoroborate) served as a benchmark to rank the pyrazoles in three groups of gradually increasing nucleophilicity, which correlated well with their determined donor strength.

Graphical abstract: Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles

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Publication details

The article was received on 05 Mar 2012, accepted on 04 May 2012 and first published on 04 May 2012


Article type: Paper
DOI: 10.1039/C2DT30526G
Dalton Trans., 2012,41, 8600-8608

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    Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles

    J. C. Bernhammer and H. V. Huynh, Dalton Trans., 2012, 41, 8600
    DOI: 10.1039/C2DT30526G

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