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Investigating the Effect of Electric Field on Chemical Reaction Rate

Adani Basmenj, Hamed | 2020

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 52731 (03)
  4. University: Sharif University of Technology
  5. Department: Chemistry
  6. Advisor(s): Nasimi, Ali Mohammad
  7. Abstract:
  8. The aim of this study is to find a formulation to investigate the catalytic effect of the electric field on the kinetic pathway of a chemical reaction. The catalytic effects of the electric field can be explained by the effect of the external electric field on the stability of the transition state relative to the reactants.The effect of the external electric field on the reaction rate for redox reactions have been proven, but this effect seemed unlikely for non redox reactions. Recently, the role of the electric field in the rate of such chemical reactions, as well as its catalytic activity,has been demonstrated experimentally and computationally. In previous studies, reactive components with a fixed spatial orientation relative to the electric field are involved in the reaction. These observations revealed the need for a theoretical formulation to predict the reaction rate as a function of the intensity of the non-oriented electric field for the reaction in the gas phase. The ”Absolute Rate Theory”, a statistical mechanical method used to calculate the rate coefficients of chemical reactions, has been used to calculate the reaction rate. In this thesis, the general formulation of the relative rate of non redox reactions present in an electric field is derived. This formulation shows the effects of the electrical parameters of reactants and transition state on the relative rate. As an example of the results of this formulation, it was shown that for Diels-Alder ycloaddition reactions that have the potential to form different products, non-oriented electric field application causes selectivity and enantioselectivity.
  9. Keywords:
  10. Catalyst ; Chemical Kinetic ; Selectivity ; Nonredox Reactions ; Eyring’s Theory ; Enantioselectivity ; Non-Oriented Electric Field

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