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Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides
journal contribution
posted on 2023-05-17, 07:25 authored by Jones, RC, Chojnacka, MW, Quail, JW, Michael GardinerMichael Gardiner, Decken, A, Brian YatesBrian Yates, Gossage, RAA 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.
History
Publication title
Dalton TransactionsVolume
40Issue
7Pagination
1594-1600ISSN
1477-9226Department/School
School of Natural SciencesPublisher
Royal Soc ChemistryPlace of publication
Thomas Graham House, Science Park, Milton Rd, Cambridge, England, Cambs, Cb4 0WfRights statement
Copyright 2011 Royal Society of ChemistryRepository Status
- Restricted