title: The (14)N 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.
authors.affiliation: Department of Chemistry, University of Nebraska at Lincoln, Lincoln, NE 68588-0304, USA.
authors.forename: John
authors.initials: J
authors.lastname: Persons
authors.forename: Gerard S
authors.initials: GS
authors.lastname: Harbison
mesh_terms: D019086:Bridged Bicyclo Compounds, Heterocyclic / Q000032:analysis* / Q000737:chemistry; D053834:Explosive Agents / Q000032:analysis* / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D009584:Nitrogen / Q000737:chemistry
chemical_list: D019086:Bridged Bicyclo Compounds, Heterocyclic; D053834:Explosive Agents; C058103:hexamethylenetriperoxidediamine; D009584:Nitrogen