An experimental and computational investigations of supramolecular anion–π/π–π/π–anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand

摘要: Abstract Three newly synthesized zinc(II) complexes, [Zn(L)(Cl)]ClO 4 ( 1 ), [Zn(L)(Br)]ClO 2 ) and [Zn(L)(N 3 )]ClO have been obtained from a tetradentate symmetrical Schiff base, N,N′-bis-(1-pyridin-2-yl-ethylidene)-propane-1,3-diamine (L). All complexes characterized using different spectroscopic techniques including X-ray crystallography. In the three interesting anion–π/π–π/π–anion assemblies are formed in solid state. The contribution of each interaction to formation assembly has computed several theoretical models density functional theory (DFT) calculations. mutual influence anion–π π–π interactions also analyzed reinforcement both is demonstrated. This study certainly important shed light into delicate mechanism that governs molecular recognition crystal packing.