LAUSR

Abstract Nitrogen-rich coordination polymers have attracted much attention recently since they were immerged as energetic materials. Despite plenty of novel energetic coordination polymers (ECPs) were reported, their structure-property relationships were seldom investigated. In this study, two new ECPs [Cu(DOBT)(H2O)2]n (1) and {[Cu2(DOBT)2](tma)}n (2) with 1D and 3D crystal structures have been synthesized by using 1H,1′H-[5,5′-bitetrazole]-1,1′-diol (DHBT) and Cu(II) ions in different solvent systems, respectively. The crystal structures, sensitivity, thermal decomposition behaviors, as well as detonation performances of these two ECPs were investigated carefully. The detonation performances were calculated with EXPLO5. This research comparatively studied the structure-property relationships of ECPs composed of the same ligand and metal ion for the first time which may guide design and synthesis of new ECPs with specific properties.