Abstract
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 14N nuclear quadrupole resonance (NQR) spectrum; the spin relaxation rate is reasonably fast.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 905-908 |
| Number of pages | 4 |
| Journal | Magnetic Resonance in Chemistry |
| Volume | 45 |
| Issue number | 11 |
| DOIs | |
| State | Published - Nov 1 2007 |
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ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
Cite this
The 14N quadrupole coupling in hexamethylene triperoxide diamine (HMTD). / Persons, John; Harbison, Gerard S.
In: Magnetic Resonance in Chemistry, Vol. 45, No. 11, 01.11.2007, p. 905-908.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The 14N quadrupole coupling in hexamethylene triperoxide diamine (HMTD)
AU - Persons, John
AU - Harbison, Gerard S.
PY - 2007/11/1
Y1 - 2007/11/1
N2 - 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 14N nuclear quadrupole resonance (NQR) spectrum; the spin relaxation rate is reasonably fast.
AB - 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 14N nuclear quadrupole resonance (NQR) spectrum; the spin relaxation rate is reasonably fast.
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UR - http://www.scopus.com/inward/citedby.url?scp=35748929936&partnerID=8YFLogxK
U2 - 10.1002/mrc.2085
DO - 10.1002/mrc.2085
M3 - Article
C2 - 17924359
AN - SCOPUS:35748929936
VL - 45
SP - 905
EP - 908
JO - Magnetic Resonance in Chemistry
JF - Magnetic Resonance in Chemistry
SN - 0749-1581
IS - 11
ER -