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An EPR study of the thermal decomposition of molten 2,4,6‐trinitrotoluene and its isotopic analogs
Author(s) -
Swanson Jon T.,
Davis Larry P.,
Dorey R. Cameron,
Carper W. Robert
Publication year - 1986
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260240906
Subject(s) - trinitrotoluene , chemistry , electron paramagnetic resonance , thermal decomposition , decomposition , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , stereochemistry , organic chemistry , physics , explosive material
Electron paramagnetic resonance spectroscopy has been used to probe the decomposition pathway of neat molten 2,4,6‐trinitrotoluene (TNT). The analogs of TNT labelled in the 2‐, 2,6‐, 4‐ and 2,4,6‐positions with 15 N, and labelled in the α‐, 3,5‐ and α,3,5‐position with 2 H have been studied, and their spectra recorded at 240°C. The results indicate that the earliest observable radical produces a spectrum resulting from coupling with a para ‐N ( a N = 10.8G), five equivalent hydrogens ( a H = 2.7G) and two benzylic hydrogens ( a H = 10.7G).