Coordination Architectures of energetic Cd (II) coordination polymers constructed by the bifunctional substituted-tetrazole-carboxylate ligands

• Published in: Journal of solid state chemistry 2016-12, Vol.244, p.129-139
• Main Authors: Shen, Lei, Bai, Yu, Min, Yu-Ting, Jia, Tian-Tian, Wu, Qi, Wang, Jing, Geng, Fei, Cheng, Hong-Jian, Zhu, Dun-Ru, Yang, Jie, Yang, Gao-Wen
• Format: Article
• Language: English
• Subjects: ACETIC ACID; AZOLES; CADMIUM CHLORIDES; Cadmiun; CALORIMETRY; ELECTRIC POTENTIAL; Energetic material; EXPERIMENTAL DATA; H2tza/Hpztza/H2tzpha; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; LIGANDS; LUMINESCENCE; MATERIALS SCIENCE; THERMAL GRAVIMETRIC ANALYSIS; THREE-DIMENSIONAL LATTICES; X-RAY DIFFRACTION
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2016.09.021

Three different tetrazole-carboxylate ligands, monotetrazole-carboxylate H2tza (H2tza=1,5-tetrazole-diacetic acid), Hpztza (Hpztza=5-(2-pyrazinyl)tetrazole-2(1-methyl)acetic acid), ditetrazole-carboxylate H2tzpha (H2tzpha=1,3-di(tetrazole-5-yl)benzene-N2,N2′-diacetic acid) have been chosen to react with CdCl2·6H2O, resulting in the formation of three new compounds [Cd2(tza)2] (1), [Cd(pztza)2] (2) and [Cd(tzpha)(CH3OH)2] (3). The coordinate sites of the three ligands are major influenced by the different substituted group of tetrazole ring. These compounds have been characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 displays a complex 3D structure; compound 2 shows a 3D network and compound 3 features a 2D layer network. Furthermore, the luminescence properties investigated at room temperature in the solid state showed excellent ligand-centered luminescence. The obvious enhancement in luminescence makes these compounds potential materials for optical use. The differential scanning calorimetry (DSC) and thermogravimetric-differential thermogravimetric (TG-DTG) analyses were applied to evaluate the thermal decomposition behavior of such compounds, showing that compounds 2 and 3 can be used as potential energetic materials. The relevant thermodynamic parameters ΔH, ΔS and ΔG were calculated as well. H2tza, Hpztza and H2tzpha have been prepared. Three novel Cd (II)compounds were synthesized by reactions of CdCl2·6H2O, namely three dimensional [Cd2(tza)2] (1), three dimensional [Cd(pztza)2] (2), and two dimensional [Cd(tzpha)(CH3O)2] (3). The luminescences were investigated. Furthermore, the DSC show compounds 1 and 3 can be used as potential explosive materials. [Display omitted]