Synthesis, Characterization and Surface Analysis of Intermolecular Interactions in a Supramolecula Hybrid Inorganic-Organic Polymer Complex Featuring Hydrogen Bonding, Halogen Bonding, and π-π Interactions

This research details the successful creation and analysis of a polymer complex with the formula [Cu(µ-Cl)(µ-OCH ₃ )(2-apy)]n CH3OH. The complex was produced by combining 2-apy and copper chloride in a 1:1 ratio using methanol as the solvent. Characterization of the resulting polymer complex was conducted through X-Ray diffraction and verified by IR spectroscopy. Crystallographic data indicated that the polymer crystallizes in a triclinic crystal system, specifically within the Pī space group. The coordination environment around each copper atom forms a square-based pyramid, where the nitrogen of the 2-amino-pyrimidine ligand (2-apy), one chlorine, and two oxygen atoms from bridged methoxy groups form the pyramid's base. The compound showcased intermolecular hydrogen bonding, halogen bonding, and π-π interactions within the coordination polymer. Hirshfeld surface analysis revealed the compound's contributions as 18.1% for hydrogen bonds, a significant 16.6% for halogen bonds, and 48.5% for hydrogen-hydrogen interactions. This study offers valuable insights into the synthesis, characterization, and properties of polymer complexes.