Bis-Anagostic Structures in N,N’-Chelate Ligand Complexes of Palladium(II)
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Date
2022-04
Open Access Location
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Publisher
Wiley-VCH Verlag
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(c) The author/s
CC BY
CC BY
Abstract
Reaction of N,N’-dibenzylidene-2,2-dimethylpropylenediamine with Pd(OAc)2 produces essentially one product which NMR spectroscopy indicates has a bis-anagostic structure. A density functional theory (DFT) calculation shows that in the square planar structure, both aromatic rings lie above the coordination plane with close approaches of two ortho-C−H bond hydrogens to both the Pd centre and the two acetato ligand coordinating oxygen atoms. N,N’-dibenzylideneethylenediamine reacts with Pd(OAc)2 similarly where a bis-anagostic structure is indicated by NMR spectroscopy and a DFT calculation shows an energy preference for an above plane positioning of the two aromatic rings. N,N,N’,N’-tetrabenzylethylenediamine reacts with Pd(OAc)2 to give a structure which X-ray crystallography shows two benzyl phenyl groups lie above and below the coordination plane respectively.
Description
Keywords
bis-Anagostic interactions, C-H bond activation, Cyclometallation reactions, Palladium
Citation
Sajjad MA, Schwerdtfeger P, Cai Y, Waters JM, Harrison JA, Nielson AJ. (2022). Bis-Anagostic Structures in N,N’-Chelate Ligand Complexes of Palladium(II). European Journal of Inorganic Chemistry. 2022. 12.