Title : ( A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase )
Authors: Mohammad Izadyar ,
Full TextAbstract
A theoretical kinetic and mechanism of diallyl disulfide pyrolysis reaction in the gas phase was studied over the temperature range of 603 K . Theoretical calculations at the B3LYP level using the 6-31G*, 6-31++G** and 6-311++G** basis sets confirm the radical mechanism for the diallyl disulfide pyrolysis. The calculated kinetic and activation parameters especially at the B3LYP/6- 31G* level are in good agreement with the experimental data.
Keywords
, Diallyl disulfide, Gas phase, kinetic, Mechanism, Radical, Concerted
@inproceedings{paperid:1029505,
author = {Izadyar, Mohammad},
title = {A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase},
booktitle = {15Iranian physical chemistry seminar},
year = {2012},
location = {Tehran, IRAN},
keywords = {Diallyl disulfide; Gas phase; kinetic; Mechanism; Radical; Concerted},
}
%0 Conference Proceedings
%T A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase
%A Izadyar, Mohammad
%J 15Iranian physical chemistry seminar
%D 2012
