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

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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.

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

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Article information


Submitted
05 Dec 2019
Accepted
15 Jan 2020
First published
22 Jan 2020

Chem. Commun., 2020, Advance Article
Article type
Communication

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

L. M. Foroughi, R. A. Wiscons, D. R. Du Bois and A. J. Matzger, Chem. Commun., 2020, Advance Article , DOI: 10.1039/C9CC09465B

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