Nitrogen analogs of TEX – A computational study

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2014-12

Author

Türker, Lemi

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TEX, a well-known nitramine type explosive, has been subjected to centric perturbations by replacing its etheric (acetal) oxygens with nitrogen atoms one by one. The structural features, stabilities and IR and UV-VIS spectra of new structures formed are investigated. For this purpose, density functional theory has been employed at the B3LYP/6-31G (d,p) and B3LYP/6-311G(d) levels. In general the calculations revealed that the oxygenenitrogen replacement resulted in more energetic but less sensitive structures than TEX. Copyright © 2014, China Ordnance Society. Production and hosting by Elsevier B.V. All rights reserved.

Subject Keywords

TEX, Explosives, Nitramines, Cyclic amines, Aminals, DFT calculations

URI

https://hdl.handle.net/11511/51264

Journal

Defence Technology

DOI

https://doi.org/10.1016/j.dt.2014.07.001

Collections

Department of Chemistry, Article

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Citation Formats

L. Türker, “Nitrogen analogs of TEX – A computational study,” Defence Technology, pp. 328–333, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51264.