From Simple Palladium(II) Monomers to 2D Heterometallic Sodium–Palladium(II) Coordination Networks with 2-Halonicotinates

• Autores: Kodrin, Ivan; Rodriguez, Maricel Gabriela; Politeo, Nives; Soldin, Željka; Kerš, Igor; Rončević, Tomislav; Čikeš Čulić, Vedrana; Sokol, Vesna; Doctorovich, Fabio; Kukovec, Boris Marko
• Año de publicación: 2024
• Idioma: inglés
• Tipo de recurso: artículo
• Materia: PALADIUM MONOMERS; CRYSTALS; COORDINATIONS NETWORKS; DFT CALCULATIONS
• Institución: Consejo Nacional de Investigaciones Científicas y Técnicas

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 the aqueous solutions under presence of NaHCO3, whilst 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 the 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 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 halosubstituents type (Cl vs. Br) doesn’t 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 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.
Fil: Kodrin, Ivan. University Of Zagreb; Croacia
Fil: Rodriguez, Maricel Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Politeo, Nives. University of Split; Croacia
Fil: Soldin, Željka. University of Zagreb; Croacia
Fil: Kerš, Igor. University of Zagreb; Croacia
Fil: Rončević, Tomislav. University of Split; Croacia
Fil: Čikeš Čulić, Vedrana. University of Split; Croacia
Fil: Sokol, Vesna. University of Split; Croacia
Fil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Kukovec, Boris Marko. University of Split; Croacia