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Ligand effects in bimetallic high oxidation state palladium systems

Ariafard, Alireza; Hyland, Cristopher J. T.; Canty, Allan; Sharma, Manab; Brookes, Nigel J; Yates, Brian F

Description

Ligand effects in bimetallic high oxidation state systems containing a X-Pd-Pd-Y framework have been explored with density functional theory (DFT). The ligand X has a strong effect on the dissociation reaction of Y to form [X-Pd-Pd]+ + Y-. In the model system examined where Y is a weak σ-donor ligand and a good leaving group, we find that dissociation of Y is facilitated by greater σ-donor character of X relative to Y. We find that there is a linear correlation of the Pd-Y and Pd-Pd bond...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/61748
Source: Inorganic Chemistry
DOI: 10.1021/ic1020912

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