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Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides

Citation

Jones, RC and Chojnacka, MW and Quail, JW and Gardiner, MG and Decken, A and Yates, BF and Gossage, RA, Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides , Dalton Transactions, 40, (7) pp. 1594-1600. ISSN 1477-9226 (2011) [Refereed Article]


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Copyright 2011 Royal Society of Chemistry

DOI: doi:10.1039/c0dt01266a

Abstract

A synthetic and structural (X-ray) investigation into the bonding modes of benzoxazole (box) and 2-methylbenzoxazole (Mebox) ligands with halide precursors of Zn and Pd has been undertaken to clarify earlier discrepancies concerning the nature of the bonding mode(s) of the two azoles. In four structurally characterised examples, all contain the title ligands in a kappa(1)N bonding motif. Calculations at the density functional level (DFT) of theory (B3LYP) confirm the ground state stability of this class of coordination for several hypothetical Pd and Zn (gas phase) compounds. The attempt to obtain suitable crystalline material of PdCl(2)(box)(2) (i.e., 5) leads to substantial complex degradation. One minor product of this process has been identified (X-ray) as the diarylformamidinato complex C(26)H(22)N(4)O(4)Pd, presumably formed via a complex combination of the decomposition products of both free box and 5.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Inorganic Chemistry
Research Field:Transition Metal Chemistry
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Jones, RC (Dr Roderick Jones)
Author:Gardiner, MG (Associate Professor Michael Gardiner)
Author:Yates, BF (Professor Brian Yates)
Author:Gossage, RA (Professor Robert Gossage)
ID Code:72182
Year Published:2011
Web of Science® Times Cited:5
Deposited By:Chemistry
Deposited On:2011-08-23
Last Modified:2015-01-21
Downloads:0

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