Palladium orthometallated complexes containing acetophenoneoxime: Synthesis, crystal structures and hirshfeld surface analysis

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Bozza, Gabriela F. [UNESP]
de Farias, Renan L. [UNESP]
de Souza, Ronan F.F. [UNESP]
Rocha, Fillipe V.
Barra, Carolina V.
Deflon, Victor M.
de Almeida, Eduardo T.
Mauro, Antonio E. [UNESP]
Netto, Adelino V.G. [UNESP]

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The bridge-splitting reaction between [Pd(C2,N-aphox)(μ-Cl)]2 and phosphines (L), in a 1:2 ratio, yielded neutral mononuclear cyclopalladated compounds of the type [PdCl(C2,N-aphox)(L)] {aphox = acetophenoneoxime; L = triphenylphosphine (1), tris(4-fluorophenyl)phosphine (2), tri-cyclohexylphosphine (3), diphenyl(p-toluyl)phosphine (4), tris-(4-methoxyphenyl)phosphine (5) and tri(p-toluyl)phosphine (6)}. The compounds were characterized by elemental analyses, IR and 1H-, 13C{1H}- and 31P{1H}-NMR spectroscopies. The crystal and molecular structures of 1–5 were determined by single-crystal X-ray diffraction. After that, the Hirshfeld surface calculations were carried out to explore the nature and major contributions of different intermolecular contacts towards crystal packing stability.



Crystal structure, Cyclopalladated compounds, Hirshfeld surface analysis, Oximes

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Journal of Molecular Structure, v. 1175, p. 195-207.