| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 4410312 | Chemosphere | 2012 | 9 Pages |
Abstract
⺠TNT hydrolysis reaction was modeled along with simulation of UV-VIS and NMR spectra. ⺠The most plausible initial intermediates are TNT anion and Meisenheimer complexes. ⺠Reaction proceeds toward polynegative complexes and Janovsky complexes. ⺠Polymeric compounds and cycle cleavage species are products of later stages. ⺠Alkaline hydrolysis of DNT and DNAN are energetically less favorable than the corresponding TNT reaction.
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Authors
Frances C. Hill, Liudmyla K. Sviatenko, Leonid Gorb, Sergiy I. Okovytyy, Gail S. Blaustein, Jerzy Leszczynski,