Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization
Leila M. Foroughi, Ren A. Wiscons, Derek R. Du Bois, Adam J. Matzger
Abstract
Cyanuric triazide (CTA) and benzotrifuroxan (BTF) form a metal-free primary energetic cocrystal with suppressed volatility and improved thermal properties relative to CTA. Though electrostatic potential maps of the most stable conformations do not predict favorable interactions, a higher energy conformer has appropriate electrostatics and is selected by BTF in the cocrystal.
Topics & Concepts
Cyanuric acidPrimary (astronomy)Cyanuric chlorideChemistryMetalCombinatorial chemistryOrganic chemistryMelaminePhysicsAstronomyEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure