Lasagna-like supramolecular polymers derived from the Pd-II osazone complexes via C(sp(2))-H center dot center dot center dot Hal hydrogen bonding

摘要

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.