Kinetics and Thermodynamic Study on the Oxidation of 1,1-Dimethylhydrazine by Iodine: A MNDO and DFT Approach
Keywords:1, 1-dimethylhydrazine, DFT, MNDO, Iodine, oxidation reaction
The reaction mechanism of the oxidation of 1,1-dimethylhydrazine by iodine was examined using semi-empirical and density functional theory methods. The oxidation proceeded via an independent pathway which was monitored and the results of the kinetic and thermodynamic study were determined. It was found that the reactant as seen by their determined binding energy would readily undergo a two-step reaction leading to the decomposition of the reactants and the formation of more stable products.
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