Further insights into the discoloration of TATB under ionizing radiation

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dc.contributor.authorLewis, Dan
dc.contributor.authorPadfield, James
dc.contributor.authorConnors, Scott
dc.contributor.authorWilson, Ian
dc.contributor.authorAkhavan, Jacqueline
dc.date.accessioned2021-01-04T13:38:22Z
dc.date.available2021-01-04T13:38:22Z
dc.date.issued2020-02-26
dc.description.abstractTo determine degradation products formed by exposure of TATB to ionizing radiation, a computational and experimental study is presented. Thermochemical and spectral data have been calculated using DFT at the MH06-HF/aug-cc-pVTZ level which suggest the formation of the cation radical derivative of TATB. Irradiated TATB samples showed the widely reported yellow-to-green discoloration, with measured CIE L*, a*, b* and RGB values correlating with total dose. Trace quantities of a mono-furazan derivative were detected by HPLC-MS; the discoloration is not attributed to this, but rather to the presence of a paramagnetic species (i.e., the cation), as detected by ESR measurements. Recrystallized irradiated TATB samples reverted to their original color, further suggesting it is the cation radical that is responsible for color change.en_UK
dc.identifier.citationLewis D, Padfield J, Connors S, et al., (2020) Further insights into the discoloration of TATB under ionizing radiation. Journal of Energetic Materials, Volume 38, Issue 3, 2020, pp. 362-376en_UK
dc.identifier.issn0737-0652
dc.identifier.urihttps://doi.org/10.1080/07370652.2020.1716109
dc.identifier.urihttp://dspace.lib.cranfield.ac.uk/handle/1826/16105
dc.language.isoenen_UK
dc.publisherTaylor and Francisen_UK
dc.rightsAttribution-NonCommercial 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/*
dc.subjectradiationen_UK
dc.subjectsensitivenessen_UK
dc.subjectDFTen_UK
dc.subjectexplosivesen_UK
dc.subjectTATBen_UK
dc.titleFurther insights into the discoloration of TATB under ionizing radiationen_UK
dc.typeArticleen_UK

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