The 14N quadrupole coupling in hexamethylene triperoxide diamine (HMTD)

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 (14)N nuclear quadrupole resonance (NQR) spectrum; the spin relaxation rate is reasonably fast.