Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization.
Leila M ForoughiRen A WisconsDerek R Du BoisAdam J MatzgerPublished in: Chemical communications (Cambridge, England) (2020)
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.