الفهرس | Only 14 pages are availabe for public view |
Abstract The present entitled thesis “Some Substitution Reactions of Aryl 2,4-dinitronaphthyl Ethers with Amines: Kinetics and Theoretical Studies” The thesis follows the logical thought process of the organic synthesis, the initial challenge was not only to synthesize new naphthyl derivatives but to also, enabling the investigation of the substrate and the products using kinetics and computational tools. The thesis comprises four chapters: The first chapter covers the literature survey on the important publications of different types of nucleophilic aromatic substitution reactions and the effect of the substrates, solvent, nucleophiles and leaving groups on the mechanism of nucleophilic aromatic substitution reactions. The survey also includes molecular modeling of mechanisms for SNAr reactions. The second chapter is devoted to the experimental part of this investigation. The preparations of the target compounds and purification of the solvent are included. Different spectral measurements such as UV-Vis, IR, 1H NMR, elemental analysis were used to assign the structure of prepared compounds. The equations used for determination of the reaction rates and calculation of activation parameters: energy of activation (Ea), Enthalpy of activation (ΔH#), Entropy of activation (ΔS#) and free energy of activation (ΔG#) were also shown. Also, this chapter contains the method of calculation used in theoretical studies The third chapter includes the results of the present work that collected in tables and presented in figures for kinetics and theoretical parts. |