Two-dimensional ZnII coordination polymer based on 5-iodoisophthalate: synthesis, crystal and electronic structure

The reaction of zinc(II) nitrate with 5-iodoisophthalic acid (5-I-IPAH) in N,N-dimethylformamide afforded the layered coordination polymer {Zn(5-I-IPA)}n(1). The structure of 1 was determined by single-crystal X-ray diffraction. The phase purity of 1 was confirmed by powder X-ray diffraction. The molecular electrostatic potentials of iodine atoms, which characterize their ability to form a halogen bond, were determined by quantum chemical calculations.