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Anta and its Oxidation Products

Published online by Cambridge University Press:  10 February 2011

Kien-Yin Lee ,
Richard Gilardi ,
Michael A. Hiskey  and
James R. Stine
Kien-Yin Lee
Affiliation:
MS C920, Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545
Richard Gilardi
Affiliation:
Laboratory for the Structure of Matter, Naval Research Laboratory, Washington D.C. 20375
Michael A. Hiskey
Affiliation:
MS C920, Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545
James R. Stine
Affiliation:
MS C920, Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545
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Abstract

5-Amino-3-nitro-lH-1,2,4-triazole (ANTA) is a molecule with high stability. Aside from being an insensitive high explosive (IHE), it is also used as a synthon for other potential new IHEs. The crystal structure of ANTA was resolved by X-ray crystallography. However, when ANTA was recrystallized from 2-butanone, crystals with molecular packing characterized by extended planar sheets were obtained (ß-ANTA). The crystal density of ß-ANTA is 1.73 g/cm3, which is less dense than α-ANTA (p = 1.82g/cm3).

The high-nitrogen molecule, 5,5'-dinitro-3,3'-azo-1,2,4-triazole (DNAT) was calculated to have a high density and a positive heat of formation (AHf). In an attempt to prepare DNAT, we have studied the oxidation of ANTA with different oxidizers. It was found that DNAT is the reaction product when the potassium salt of ANTA was oxidized with potassium permanganate. However, when ANTA was oxidized with ammonium persulfate in aqueous medium, one of the reaction products obtained was the azoxy moleclue of DNAT (DNAzT). We are unable to determine the crystal densities of either DNAT and DNAzT because the crystals obtained were solvated with the crystallization solvents.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 418: Symposium GG – Decomposition, Combustion, and Detonation Chemistry of Energetic Materials , 1995 , 43
Copyright
Copyright © Materials Research Society 1996

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