Using high-field NMR, we have determined the magnitude of the nuclear quadrupole interaction in hexamethylene triperoxide diamine (HMTD), the explosive allegedly used in the London bombings of July 2005. The experimental quadrupolar coupling constant, 5.334 MHz, is in good agreement with quantum chemical calculations. The predicted single zero-field transition frequency should lie in a relatively empty part of the (14)N nuclear quadrupole resonance (NQR) spectrum; the spin relaxation rate is reasonably fast.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1002/mrc.2085 | DOI Listing |
J Phys Chem A
October 2024
Department of Analytical, Biopharmaceutical and Medical Sciences, Atlantic Technological University, Galway H91 T8NW, Ireland.
J Am Soc Mass Spectrom
September 2024
Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, Shanghai China.
Detection of illicit compounds like explosives and drugs of abuse at trace levels is crucial to provide public security and health safety. A dual ambient sampling system hollow cathode discharge (HCD) ion source was developed to investigate its performance. Here, trinitrotoluene (TNT), trinitrobenzene (TNB), hexamethylene triperoxide diamine (HMTD), and triacetone triperoxide (TATP) as explosives and methamphetamine (MA) as drugs of abuse were taken as model compounds.
View Article and Find Full Text PDFAnal Methods
May 2023
DTU Compute, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.
Colorimetric sensing technology for the detection of explosives, drugs, and their precursor chemicals is an important and effective approach. In this work, we use various machine learning models to detect these substances from colorimetric sensing experiments conducted in controlled environments. The detection experiments based on the response of a colorimetric chip containing 26 chemo-responsive dyes indicate that homemade explosives (HMEs) such as hexamethylene triperoxide diamine (HMTD), triacetone triperoxide (TATP), and methyl ethyl ketone peroxide (MEKP) used in improvised explosives devices are detected with true positive rate (TPR) of 70-75%, 73-90% and 60-82% respectively.
View Article and Find Full Text PDFAnal Chim Acta
May 2023
Australian Centre for Research on Separation Science (ACROSS), University of Tasmania, Hobart, Australia; Central European Institute of Technology, Brno University of Technology, Purkynova 123, CZ-612 00, Brno, Czech Republic; Department of Chemistry and Biochemistry, Mendel University in Brno, Zemedelska 1, CZ-613 00, Brno, Czech Republic.
Organic peroxide explosives (OPEs) are unstable, non-military, contemporary security threats often found in improvised explosive devices. Chemiluminescence (CL) can be used to detect OPEs, via radical formation consisting of peroxide moieties (-O-O-) under acidic conditions. However, selectivity for specific OPEs is hampered by the ubiquitous background of HO.
View Article and Find Full Text PDFChirality
April 2023
Department of Chemistry, Vanderbilt University, Nashville, Tennessee, USA.
Triacetone triperoxide (TATP) and hexamethylene triperoxide diamine (HMTD) are cyclic peroxides that exhibit atropisomerism resulting from restricted rotation around three peroxide bonds. As a result, one pair of enantiomers with D symmetry and another pair of enantiomers with C symmetry can be identified. Previous studies, based on mass spectrometry data and computational results, have shown that conformations of TATP with D and C symmetry can be isolated.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!