Metal Complexes Based on 3-Nitrophthalic Acid Involving in Situ Decarboxylaton: Syntheses, Crystal Structures and Physical Properties

Two metal complexes, [Zn(3-NBA)(trz)](n) (1) and [Pb(3-NBA)(phen)(2)]NO3 (2), have been constructed through hydrothermal reaction using 3-nitrophthalic acid (3-NPAH(2)), phen (1,10-phenanthroline) or 1,2,4-triazole (Htrz), and ZnSO4 center dot 7H(2)O or Pb(NO3)(2). During the reaction, the 3-HNBA resulted from the in situ decarboxylation of 3-nitrophthalic acid, and the experimental results have been confirmed by the theoretical calculation. Complexes 1 similar to 2 have been characterized by IR spectra, PXRD, elemental analyses and thermogravimetric analyses. Single-crystal X-ray diffraction analyses reveal that complex 1 exhibits a two-dimensional (2D) layered structure, which packs through weak N-O center dot center dot center dot pi interactions. Complex 2 has a monomeric structure, which is assembled to a three-dimensional (3D) supramolecular structure through weak pi center dot center dot center dot pi interactions. Furthermore, the solid-state fluorescence of complexes 1 similar to 2 was recorded at room temperature. CCDC: 1915797, 1; 915798, 2.