Abstract
The 2D heterometallic sodium-palladium(II) coordination polymers with 2-halonicotinates [2-chloropyridine-3-carboxylate (2-chloronicotinate), 2-Clnic- and 2-bromopyridine-3-carboxylate (2-bromonicotinate), 2-Brnic-], {[Na2(H2O)2(μ-H2O)4PdCl2(μ-2-Clnic-N:O')2]}n (1), and {[Na2(H2O)2(μ-H2O)4PdBr2(μ-2-Brnic-N:O')2]·2H2O}n (2) were prepared in aqueous solutions under the presence of NaHCO3, while palladium(II) monomers with the neutral 2-chloronicotinic and 2-bromonicotinic acid ligands, [PdCl2(2-ClnicH-N)2]·2DMF (3) and [PdCl2(2-BrnicH-N)2]·2DMF (4), were prepared in DMF/water mixtures (DMF = N,N'-dimethylformamide). The zigzag chains of water-bridged sodium ions are in turn bridged by [PdCl2(2-Clnic)2]2- moieties in 1 or by [PdBr2(2-Brnic)2]2- moieties in 2, leading to the formation of the infinite 2D coordination networks of 1 or 2. The DFT calculations showed the halosubstituents type (Cl vs Br) does not have an influence on the formation of either trans or cis isomers. The trans isomers were found in all reported compounds; being more stable for about 10 to 15 kJ mol-1. The 2D coordination networks 1 and 2 are more stabilized by the formation of Na-Ocarboxylate bonds, comparing to the stabilization of palladium(II) monomers 3 and 4 by hydrogen-bonding with DMF molecules. The difference in DFT calculated energy stabilization for 1 and 2 is ascribed to the type of halosubstituents and to the presence/absence of lattice water molecules in 1 and 2. The compounds show no antibacterial activity toward reference strains of Escherichia coli and Staphylococcus aureus bacteria and no antiproliferative activity toward bladder (T24) and lung (A549) cancer cell lines.