Preparation of the novel Pd-II osazone complex and its self-assembly into lasagna-like arrays in the solid state via rare C(sp(2))-H center dot center dot center dot Hal hydrogen bonding, as well as N-H center dot center dot center dot Ph weak contact is reported. The rare Pd-II osazone complex was characterized using elemental analyses (C, H, N), ESI-MS, IR, H-1 and C-13 NMR techniques and X-ray diffraction analysis. The intermolecular non-covalent interactions C-H center dot center dot center dot Cl and N-H center dot center dot center dot Ph responsible for the formation of 1D supramolecular polymeric chains in the crystal were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 1.3-1.6 kcal/mol.

Original languageEnglish
Article number119378
Number of pages5
JournalInorganica Chimica Acta
Volume502
DOIs
StatePublished - 1 Mar 2020

    Research areas

  • Crystal engineering, DFT, Hydrogen bonding, Non-covalent interactions, Osazones, Palladium, QTAIM, Schiff-base complexes, Supramolecular polymers, VAN, VOLUMES, IDENTIFICATION, ENERGIES

    Scopus subject areas

  • Materials Chemistry
  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

ID: 51282971