15th Iranian Physical Chemistry Conference , 2012-09-03

Title : ( A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide )

Authors: Mohammad Izadyar , Mostafa Gholizadeh , mohammad khavani ,

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Rate constants of the reaction in the gas phase and different solvents of acetone, benzene, and DMF at 393 K were calculated by means of transition state theory. Comparison between the gas phase and solvated TS confirmed a small solvent effect in terms of donor properties of the solvent. Higher reaction rates below to solvents with a higher degree of basicity. To explain the influence of the solvent on the reaction rate, using the dipole moment (μ) is of importance.

Keywords

Solvent effects; Transition State;
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@inproceedings{paperid:1029508,
author = {Izadyar, Mohammad and Gholizadeh, Mostafa and Khavani, Mohammad},
title = {A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide},
booktitle = {15th Iranian Physical Chemistry Conference},
year = {2012},
location = {Tehran, IRAN},
keywords = {Solvent effects; Transition State; 3;4-dimethyl-2;5-dihydrothiophen-1;1-dioxide},
}

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%0 Conference Proceedings
%T A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide
%A Izadyar, Mohammad
%A Gholizadeh, Mostafa
%A Khavani, Mohammad
%J 15th Iranian Physical Chemistry Conference
%D 2012

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