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Detection of pentazolate anion (cyclo-N-5(-)) from laser ionization and decomposition of solid p-dimethylaminophenylpentazole
KTH, Superseded Departments, Chemistry.ORCID iD: 0000-0003-2673-075X
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2003 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 379, no 5-6, 539-546 p.Article in journal (Refereed) Published
Abstract [en]

Laser desorption ionization (LDI) time-of-flight (TOF) mass spectroscopy of solid p-dimethylaminophenylpentazole (1) gives strong peaks of m/z -42 and -70. The -70 peak was identified by N-15 labeling of 1 to be the pentazolate anion (cyclo-N-5(_)) The pentazolate anion is formed by an electron attachment to I forming the corresponding radical anion followed by a decomposition into 4-N(CH3)(2)-C6H4. and (cyclo-N-5(-)). The LDI TOF experimental study also revealed that the (cyclo-N-5(-))is very stable. These conclusions are supported by QM calculations at the B3LYP/6-311+G(2df,p) level.

Place, publisher, year, edition, pages
2003. Vol. 379, no 5-6, 539-546 p.
Keyword [en]
energy density material, theoretical characterization, transition-state, tetrahedral n-4, material tdn4, basis-set, nitrogen, stability, molecules, ions
Identifiers
URN: urn:nbn:se:kth:diva-22882DOI: 10.1016/j.cplett.2003.08.081ISI: 000185876500024OAI: oai:DiVA.org:kth-22882DiVA: diva2:341580
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Wallin, StefanBrinck, Tore

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