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

Foroughi, Leila M; Wiscons, Ren A; Du Bois, Derek R; Matzger, Adam J

Foroughi, Leila M; Wiscons, Ren A; Du Bois, Derek R; Matzger, Adam J.

Afiliação

Foroughi LM; Department of Chemistry, Macromolecular Science and Engineering Program, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109-1055, USA. matzger@umich.edu.
Wiscons RA; Department of Chemistry, Macromolecular Science and Engineering Program, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109-1055, USA. matzger@umich.edu.
Du Bois DR; Department of Chemistry, Macromolecular Science and Engineering Program, University of Michigan, 930 North University Avenue, Ann Arbor, MI 48109-1055, USA. matzger@umich.edu.
Matzger AJ; 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-

Chem Commun (Camb) ; 56(14): 2111-2114, 2020 Feb 18.

Article em En | MEDLINE | ID: mdl-31967626

ABSTRACT

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.

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Commun (Camb) Assunto da revista: QUIMICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos

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