Synthesis, Crystal structures, and Thermal behaviors of MBTO·nPhen with M=Co, Ni, Cu, Zn and Phen=1,10-Phenanthroline

The cocrystal of 1,10-phenanthrolin-1-ium 1-hydroxy-[5,5'-bitetrazol]-1'-olate (BTO·Phen) from 5,5′-bistetrazole-1,1′-diol dehydrate (BTO) and 1,10-Phenanthroline (Phen) was synthesized in a simple, straightforward manner and was characterized by IR, elemental analysis, and single-crystal X-ray diffraction of several salts (Ni2+ and Zn2+) were also given. The X-ray structures show that in the title compounds, the metal atoms are bonded to the nitrogen atom in the Phen ring and the oxygen atom in the bistetrazole ring to form the sandwich structure. Thermal stabilities of all title compounds were determined with Differential scanning Calorimetry (DSC), showing good thermostability. In addition, thermokinetic parameters including the apparent activation energies (EK and EO) and pre-exponential factor (A) were also calculated.