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

• Autor(a) principal: Bozza, Gabriela F. [UNESP]
• Data de Publicação: 2019
• Outros Autores: 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]
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UNESP
• Texto Completo: http://dx.doi.org/10.1016/j.molstruc.2018.07.108; http://hdl.handle.net/11449/189662
• topic: Crystal structure; Cyclopalladated compounds; Hirshfeld surface analysis; Oximes

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.