Two d¹⁰ Metal Coordination Polymers Based on 1H-1,2,4-Triazole: Synthesis, Structure and Fluorescence

Two d¹⁰ Metal Coordination Polymers Based on 1H-1,2,4-Triazole: Synthesis, Structure and Fluorescence

The reactions of 1H-1,2,4-triazole (Htr) with $MX_2$ ($ZnCl_2$ for 1; $CdBr_2$ for 2) resulted in two coordination polymers, [Zn(tr)Cl]$_n$ (1) and $[Cd(Htr)_2Br_2]_n$ (2). The structural analyses indicate that 1 and 2 feature a 2D layer and 1D triple chain, respectively. In 1, neighouring Zn atoms are connected by ${\mu}_3-1$ ${\kappa}N$: 2 ${\kappa}N$: $4{\kappa}N-tr^-$ anionic ligand into 6- and 16-membered rings, further grow into a 2D sheet. Cd atoms in 2 are bonded by two ${\mu}_2-Br^-$ bridges and neutral ${\mu}_2$-1 ${\kappa}N$: 2 ${\kappa}N$-Htr to form a 1D triple chain. The fluorescent characterizations of 1, 2 and the free Htr ligand feature simlilar emission peakes at 444, 446 and 423 nm respectively, which can be assigned to intra-ligand ${\pi}-{\pi}^*$ transition of (H)tr. The energy gaps of 5.90 eV for 1, 5.16 eV for 2, and 5.93 eV for Htr suggest that the compounds behave as insulators.