Kinetics and Thermodynamic Study on the Oxidation of 1,1-Dimethylhydrazine by Iodine: A MNDO and DFT Approach

David Ebuka ARTHUR; Adamu UZAIRU; Philip John AMEJI; Israel Emmanuel EDACHE

Authors

David Ebuka ARTHUR Department of Chemistry, Ahmadu Bello University Zaria
Adamu UZAIRU Department of Chemistry, Ahmadu Bello University Zaria
Philip John AMEJI Department of Chemistry, Ahmadu Bello University Zaria
Israel Emmanuel EDACHE Department of Chemistry, Ahmadu Bello University Zaria

Keywords:

1, 1-dimethylhydrazine, DFT, MNDO, Iodine, oxidation reaction

Abstract

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.

doi:10.14456/WJST.2015.91

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Author Biography

David Ebuka ARTHUR, Department of Chemistry, Ahmadu Bello University Zaria

Department of Chemistry

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