Issue 2, 2008
From the journal:

New Journal of Chemistry

Dense energetic salts of N,N′-dinitrourea (DNU)†

Chengfeng Ye,a   Haixiang Gao,a   Brendan Twamleya  and  Jean’ne M. Shreeve*a  

* Corresponding authors

a Department of Chemistry, University of Idaho, Moscow, Idaho, USA
E-mail: jshreeve@uidaho.edu

Abstract

The structure of dinitrourea (DNU) as determined by X-ray single-crystal diffraction is orthorhombic; space group: Fdd2; a = 12.0015(9), b = 17.6425(13), c = 4.5555(4); V = 964.57 Å3, Z = 8, T = 90 K; Dc = 2.067 g cm–3. The heat of formation (ΔfH°298) of DNU in the gas phase was calculated to be 24.88 kJ mol–1 by using the G3MP2 method based on isodesmic reactions. Eleven mono-organic salts of DNU were prepared in acetonitrile and characterized via NMR spectra, elemental analyses and DSC. Derivatives of 1,2,4-triazolium salts of DNU exhibit densities ranging from 1.75 to 1.86 g cm–3 and detonation properties comparable with those of RDX and HMX.

Graphical abstract: Dense energetic salts of N,N′-dinitrourea (DNU)

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Article information

DOI
https://doi.org/10.1039/B712417A
Article type
Paper
Submitted
13 Aug 2007
Accepted
18 Sep 2007
First published
01 Oct 2007

New J. Chem., 2008,32, 317-322

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Dense energetic salts of N,N′-dinitrourea (DNU)

C. Ye, H. Gao, B. Twamley and J. M. Shreeve, New J. Chem., 2008, 32, 317 DOI: 10.1039/B712417A

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