The 14N quadrupole coupling in hexamethylene triperoxide diamine (HMTD)
β Scribed by John Persons; Gerard S. Harbison
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 133 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.2085
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β¦ Synopsis
Abstract
Using highβfield 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 zeroβfield 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. Copyright Β© 2007 John Wiley & Sons, Ltd.
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Electric-field-induced splittings of 'H and 14N NMR lmes of nitrobenzene in solutions with benzene and acetonitrie were measured to study the solvent dependence of 14N quadrupole coupling The solvent effect is negligible. Comparison with sohdstate data indicates that the major principal component of