The roles of H-bonding, π-stacking, and antiparallel CO ⋯ CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid

The synthesis and X-ray characterization of a novel Gd(III) complex has been carried out using pyridine-2,6-dicarboxylic acid as organic ligand. The crystal structure exhibits interesting antiparallel CO ⋯ CO interactions. A DFT study (M06-2X/def2-TZVP level of theory) has been performed in order to gain some insights into the physical nature of the interaction and its impact in the solid state architecture of the metal complex.97