Thursday, January 31, 2019

Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-N5 production

Chem. Commun., 2019, Accepted Manuscript
DOI: 10.1039/C8CC10024A, Communication
Guanghua Ren, Runze Liu, PanWang Zhou, Chaoyang Zhang, JIanyong Liu, Keli Han
A thorough theoretical exploration on the formation mechanism of arylpentazole (cyclo-N5), the key precursor of cyclo-N5-, has been performed. Three arylpentazene conformers were found as intermediates and one is crucial...
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