A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase
Year
: 2012
Abstract: 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.
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.
Keyword(s): Diallyl disulfide,Gas phase,kinetic,Mechanism,Radical,Concerted
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A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase
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| contributor author | محمد ایزدیار | en |
| contributor author | Mohammad Izadyar | fa |
| date accessioned | 2020-06-06T14:06:51Z | |
| date available | 2020-06-06T14:06:51Z | |
| date copyright | 9/3/2012 | |
| date issued | 2012 | |
| identifier uri | http://libsearch.um.ac.ir:80/fum/handle/fum/3382951?locale-attribute=en | |
| description abstract | 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. | en |
| language | English | |
| title | A Comprehensive Study on the Mechanism of Diallyl Disulfide (All2S2) Thermal Decomposition in the Gas Phase | en |
| type | Conference Paper | |
| contenttype | External Fulltext | |
| subject keywords | Diallyl disulfide | en |
| subject keywords | Gas phase | en |
| subject keywords | kinetic | en |
| subject keywords | Mechanism | en |
| subject keywords | Radical | en |
| subject keywords | Concerted | en |
| identifier link | https://profdoc.um.ac.ir/paper-abstract-1029505.html | |
| conference title | 15Iranian physical chemistry seminar | en |
| conference location | Tehran | fa |
| identifier articleid | 1029505 |