17th Iranian Physical Chemistry Conference , 2014-10-21

Title : ( Theoretical Study of the Solvent Effect on the Rate of the Keto-Enol Tautomerization )

Authors: Mohammad Khavani , Mohammad Izadyar ,

Access to full-text not allowed by authors

Citation: BibTeX | EndNote

Theoretical study of the solvent effect on the rate of the Keto-Enol tautomerization has been done. Kinetic studies showed that transition state has larger dipole moment than reactant. It is also seen that by increasing the activation diploe moment, rate of the tautomerozation is increased. This is because of the reduction of activation Gibbs free energy. An important point is that this reaction in polar solvents with grater dielectric constant is faster than in low polar solvents. figure 2 with increasing the interaction energy the rate of tautomerozation is reduced.

Keywords

, Solvent effect; Keto, enol tatumerization; DFT; kinetics;
برای دانلود از شناسه و رمز عبور پرتال پویا استفاده کنید.

@inproceedings{paperid:1043881,
author = {Khavani, Mohammad and Izadyar, Mohammad},
title = {Theoretical Study of the Solvent Effect on the Rate of the Keto-Enol Tautomerization},
booktitle = {17th Iranian Physical Chemistry Conference},
year = {2014},
location = {Tehran, IRAN},
keywords = {Solvent effect; Keto-enol tatumerization; DFT; kinetics; Polar},
}

[Download]

%0 Conference Proceedings
%T Theoretical Study of the Solvent Effect on the Rate of the Keto-Enol Tautomerization
%A Khavani, Mohammad
%A Izadyar, Mohammad
%J 17th Iranian Physical Chemistry Conference
%D 2014

[Download]