Two-dimensional Zn II 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.