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

doi:10.1039/c9cc09465b

Improving stability of the metal-free primary energetic cyanuric triazide (CTA) through cocrystallization

Chem Commun (Camb). 2020 Feb 18;56(14):2111-2114. doi: 10.1039/c9cc09465b. Epub 2020 Jan 22.

Authors

Leila M Foroughi¹, Ren A Wiscons¹, Derek R Du Bois¹, Adam J Matzger²

Affiliations

¹ Department of Chemistry, Macromolecular Science and Engineering Program, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109-1055, USA. matzger@umich.edu.
² Department of Chemistry, Macromolecular Science and Engineering Program, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109-1055, USA. matzger@umich.edu and Macromolecular Science and Engineering Program, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109-1055, USA.

PMID: 31967626
DOI: 10.1039/c9cc09465b

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.