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- W2014998249 abstract "The reactions of 2,4,6-trinitrotoluene (TNT) and 2,4,6-trinitrotoluene fully deuterated at the methyl position (TNT-d 3 ) with sodium and potassium t-butoxide in t-butanol have been studied. With TNT as the substrate, proton abstraction by ion-paired sodium or potassium t-butoxide appears to be the predominant reaction in solution. With sodium t-butoxide as base, the forward rate constant for proton abstraction at 30.0 °C (K f,ip ) is 6000 ± 400 M −1 s −1 while ΔH ≠ and ΔS ≠ for the reaction are 4.2 ± 0.3 kcal mol −1 and −27 ± 2 cal deg −1 mol −1 , respectively. With TNT-d 3 as the substrate, formation of a TNT-d 3 -t-butoxide ion σ-complex occurs simultaneously with deuteron abstraction. Specific rate constants for the two processes have been determined at 30.0 °C. Initial rate studies establish a hydrogen-deuterium kinetic isotope effect of 8 ± 1 for the formation of the anion in t-butanol." @default.
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- W2014998249 date "1974-06-15" @default.
- W2014998249 modified "2023-10-18" @default.
- W2014998249 title "Kinetic and Equilibrium Studies of the Reactions of 2,4,6-Trinitrotoluene and 2,4,6-Trinitrotoluene-<i>d</i><sub>3</sub> with Sodium and Potassium <i>t</i>-Butoxide in <i>t</i>-Butanol" @default.
- W2014998249 doi "https://doi.org/10.1139/v74-333" @default.
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