Abstract

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 (E_K and E_O) and pre-exponential factor (A) were also calculated.

Keywords: BTO∙Phen ∙ Crystal Structure ∙ Thermal behaviors ∙ Thermokinetic parameters

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Zhu, J.; Yao, X.; Wang, G.; Ban, J.; Wu, D.; Ma, H. Beilstein Arch. 2019, 2019123. doi:10.3762/bxiv.2019.123.v1

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