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Dissociative Electron Attachment to the Nitroamine HMX (Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine)
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    Research Article

    Dissociative Electron Attachment to the Nitroamine HMX (Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine)
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    • Johannes Postler
      Johannes Postler
      Institut für Ionenphysik und Angewandte Physik, Technikerstr. 25 / 3, A-6020, Innsbruck, Austria
    • Marcelo M. Goulart
      Marcelo M. Goulart
      Institut für Ionenphysik und Angewandte Physik, Technikerstr. 25 / 3, A-6020, Innsbruck, Austria
      CAPES Foundation, Ministry of Education of Brazil, 70040-020, Brasilia, DF, Brazil
    • Carolina Matias
      Carolina Matias
      Institut für Ionenphysik und Angewandte Physik, Technikerstr. 25 / 3, A-6020, Innsbruck, Austria
    • Andreas Mauracher
      Andreas Mauracher
      Institut für Ionenphysik und Angewandte Physik, Technikerstr. 25 / 3, A-6020, Innsbruck, Austria
    • Filipe Ferreira da Silva
      Filipe Ferreira da Silva
      Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516, Caparica, Portugal
    • Paul Scheier
      Paul Scheier
      Institut für Ionenphysik und Angewandte Physik, Technikerstr. 25 / 3, A-6020, Innsbruck, Austria
      More by Paul Scheier
    • Paulo Limão-Vieira
      Paulo Limão-Vieira
      Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516, Caparica, Portugal
    • Stephan Denifl
      Stephan Denifl
      Institut für Ionenphysik und Angewandte Physik, Technikerstr. 25 / 3, A-6020, Innsbruck, Austria
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    Journal of The American Society for Mass Spectrometry

    Cite this: J. Am. Soc. Mass Spectrom. 2013, 24, 5, 744–752
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    https://doi.org/10.1007/s13361-013-0588-y
    Published March 13, 2013
    Copyright © 2013 © American Society for Mass Spectrometry 2013

    Abstract

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    In the present study, dissociative electron attachment (DEA) measurements with gas phase HMX, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, C4H8N8O8, have been performed by means of a crossed electron-molecular beam experiment. The most intense signals are observed at 46 and 176 u and assigned to NO2 and C3H6N5O4, respectively. Anion efficiency curves for 15 negatively charged fragments have been measured in the electron energy region from about 0–20 eV with an energy resolution of ~0.7 eV. Product anions are observed mainly in the low energy region, near 0 eV, arising from surprisingly complex reactions associated with multiple bond cleavages and structural and electronic rearrangement. The remarkable instability of HMX towards electron attachment with virtually zero kinetic energy reflects the highly explosive nature of this compound. Substantially different intensity ratios of resonances for common fragment anions allow distinguishing the nitroamines HMX and royal demolition explosive molecule (RDX) in negative ion mass spectrometry based on free electron capture.

    Copyright © 2013 © American Society for Mass Spectrometry 2013

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    This article is cited by 11 publications.

    1. Zhen Zeng, Elliot R. Bernstein. RDX- and HMX-Related Anionic Species Explored by Photoelectron Spectroscopy and Density Functional Theory. The Journal of Physical Chemistry C 2018, 122 (39) , 22317-22329. https://doi.org/10.1021/acs.jpcc.8b07728
    2. Maija M. Kuklja, Roman V. Tsyshevsky, and Onise Sharia . Effect of Polar Surfaces on Decomposition of Molecular Materials. Journal of the American Chemical Society 2014, 136 (38) , 13289-13302. https://doi.org/10.1021/ja506297e
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    4. Ross D. McCulloch, Mario Amo‐González. Rapid detection of explosive vapors by thermal desorption atmospheric pressure photoionization differential mobility analysis tandem mass spectrometry. Rapid Communications in Mass Spectrometry 2019, 33 (18) , 1455-1463. https://doi.org/10.1002/rcm.8492
    5. P. Martini, L. Kranabetter, M. Goulart, M. Kuhn, M. Gatchell, D.K. Bohme, P. Scheier. Formation of positive and negative clusters of gold atoms inside helium nanodroplets close to zero K. International Journal of Mass Spectrometry 2018, 434 , 136-141. https://doi.org/10.1016/j.ijms.2018.09.020
    6. Anita Ribar, Katharina Fink, Michael Probst, Stefan E. Huber, Linda Feketeová, Stephan Denifl. Isomer Selectivity in Low‐Energy Electron Attachment to Nitroimidazoles. Chemistry – A European Journal 2017, 23 (52) , 12892-12899. https://doi.org/10.1002/chem.201702644
    7. M. Riad Manaa. Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method. Chemical Physics Letters 2017, 678 , 102-106. https://doi.org/10.1016/j.cplett.2017.04.038
    8. Zhen Zeng, Elliot R. Bernstein. Photoelectron spectroscopy and density functional theory studies of N-rich energetic materials. The Journal of Chemical Physics 2016, 145 (16) https://doi.org/10.1063/1.4964944
    9. B. Nguyen Van, E.V. Nikolaeva, A.G. Shamov, G.M. Khrapkovskii, R.V. Tsyshevsky. Exploration of decomposition pathways of 2,4,6-trinitrotoluene (TNT) radical ions by means of density functional theory. International Journal of Mass Spectrometry 2015, 392 , 7-15. https://doi.org/10.1016/j.ijms.2015.08.016
    10. Yassin A. Jeilani, Kameron A. Duncan, Domnique S. Newallo, Albert N. Thompson, Nripendra K. Bose. Tandem mass spectrometry and density functional theory of RDX fragmentation pathways: Role of ion–molecule complexes in loss of NO 3 and lack of molecular ion peak. Rapid Communications in Mass Spectrometry 2015, 29 (9) , 802-810. https://doi.org/10.1002/rcm.7167
    11. Chengyin Shen, Wenqi Niu, Chaoqun Huang, Lei Xia, Yan Lu, Shaolin Wang, Hongzhi Wang, Haihe Jiang, Yannan Chu. Proton-extraction-reaction mass spectrometry (PER-MS) for monitoring organic and inorganic compounds. International Journal of Mass Spectrometry 2014, 371 , 36-41. https://doi.org/10.1016/j.ijms.2014.07.031

    Journal of The American Society for Mass Spectrometry

    Cite this: J. Am. Soc. Mass Spectrom. 2013, 24, 5, 744–752
    Click to copy citationCitation copied!
    https://doi.org/10.1007/s13361-013-0588-y
    Published March 13, 2013
    Copyright © 2013 © American Society for Mass Spectrometry 2013

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