Literature DB >> 22660963

Are amino groups advantageous to insensitive high explosives (IHEs)?

Xia Cao1, Yushi Wen, Bin Xiang, Xinping Long, Chaoyang Zhang.   

Abstract

There is usually a contradiction between increasing energy densities and reducing sensitivities of explosives. The explosives with both high energy densities and low sensitivities, or the so-called insensitive high explosives (IHEs), are desirable in most cases. It seems from applied explosives that amino groups are advantageous to IHE but the amount of amino groups contained IHEs is very limited. To make this clear, we present systemic examinations of the effects on the two properties stressed in IHEs after introducing amino groups to different molecular skeletons. As a result, the amino groups on resonant sites to nitro groups in conjugated systems can improve distinctly sensitivities and change energy densities in terms of oxygen balance; while the amino groups in unconjugated systems can hardly increase energy densities and usually cause increased sensitivities. It agrees well with a fact that almost all the molecules of applied amino group contained explosives possess conjugated skeletons. We therefore confirm that if amino groups are introduced resonantly to a nitro group in a conjugated system and the introduction improves OB, they are advantageous to IHEs.

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Year:  2012        PMID: 22660963     DOI: 10.1007/s00894-012-1473-5

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  14 in total

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4.  A possible crystal volume factor in the impact sensitivities of some energetic compounds.

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5.  Sensitivity and the available free space per molecule in the unit cell.

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6.  Quantum-chemical studies on hexaazaisowurtzitanes.

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7.  Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials.

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8.  Pi-stacked interactions in explosive crystals: buffers against external mechanical stimuli.

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9.  Looking for high energy density compounds among 1,3-bishomopentaprismane derivatives with CN, NC, and ONO(2) groups.

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10.  Molecular design of 1,2,4,5-tetrazine-based high-energy density materials.

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Journal:  J Phys Chem A       Date:  2009-08-20       Impact factor: 2.781

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