Experimental and Theoretical Approaches to Three Uranyl Coordination Polymers Constructed by Phthalic Acid and N,N'-Donor Bridging Ligands: Crystal Structures, Luminescence, and Photocatalytic Degradation of Tetracycline Hydrochloride

Three uranyl coordination polymers have been synthesized by using phthalic acid (H(2)PHA) in the presence of N,N'-donor ligands, and namely, (UO2)(BPP)(0.5)(PHA) (1), (UO2)(BPE)0.5(PHA) (2), and [(UO2)(H2O)(PHA)](PYZ)(0.5)H2O (3) [BPP = 1,3-di(4-pyridyl)- propane, BPE = 4,4'-vinylenedipyridine, and PYZ = pyrazine]. X-ray analysis of single crystal structure determined that compounds 1 and 2 exhibit a three-dimentional (3D) framework, and compound 3 exhibits a two-dimentional (2D) network. Compound 1 is linked by PHA(2-) anions to form a one-dimensional ribbon and bridged by BPP ligands to build a 3D framework of cds CdSO4 topological type. Compound 2 is bridged by PHA(2-) anions into layers of a 4-connected dinodal net topology of (4(4);6(2)) and connected through BPE ligands to form a 3D framework of pcu alpha-Po primitive cubic topological type. Compound 3 is assembled into 2D layers via PHA(2-) anions; the PYZ ligands and lattice water molecules only stabilize the 3D supramolecular structure. Considering the effect of hydrogen bonding, compound 3 has the same topological type as compound 2. These complexes are characterized by elemental analysis, IR and UV-vis spectroscopy, thermal analysis, powder X-ray diffraction, and photoluminescence spectroscopy. The photocatalytic properties of 1 and 2 for degradation of tetracycline hydrochloride upon light emitting diode lamp irradiation have been examined. Moreover, the electronic structural and spectra properties of compounds 1-3 have been systematically explored by time-dependent density functional theory calculations.