14N NQR, relaxation and molecular dynamics of the explosive TNT

John A S Smith, Michael D. Rowe*, Kaspar Althoefer, Neil F. Peirson, Jamie Barras

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)
348 Downloads (Pure)

Abstract

Multiple pulse sequences are widely used for signal enhancement in NQR detection applications. Since the various 14N NQR relaxation times, signal decay times and frequency of each NQR line have a major influence on detection sequence performance, it is important to characterise these parameters and their temperature variation, as fully as possible. In this paper we discuss such measurements for a number of the ν+ and ν- NQR lines of monoclinic and orthorhombic TNT and relate the temperature variation results to molecular dynamics. The temperature variation of the 14N spin-lattice relaxation times T1 is interpreted as due to hindered rotation of the NO2 group about the C-NO2 bond with an activation energy of 89 kJ mol-1 for the ortho and para groups of monoclinic TNT and 70 kJ mol-1 for the para group of orthorhombic TNT.

Original languageEnglish
Pages (from-to)61-66
Number of pages6
JournalSolid State Nuclear Magnetic Resonance
Volume71
Early online date28 Sept 2015
DOIs
Publication statusPublished - 1 Oct 2015

Keywords

  • N NQR
  • NQR parameters
  • NQR relaxation times
  • Pulsed spin-locking (PSL) sequence
  • Temperature variation
  • TNT detection

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