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Bis ‐Anagostic Structures in N,N’‐Chelate Ligand Complexes of Palladium(II)
Author(s) -
Sajjad M. Arif,
Schwerdtfeger Peter,
Cai Yichao,
Waters Joyce M.,
Harrison John A.,
Nielson Alastair J.
Publication year - 2022
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202200027
Subject(s) - chemistry , palladium , ligand (biochemistry) , density functional theory , crystallography , aromaticity , nuclear magnetic resonance spectroscopy , ring (chemistry) , chelation , stereochemistry , medicinal chemistry , molecule , computational chemistry , inorganic chemistry , catalysis , organic chemistry , biochemistry , receptor
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.