Gas-phase kinetics and mechanism of diallyl sulfide thermal decomposition

被引：15
|
作者：
Gholami, MR [1 ]
Izadyar, M [1 ]
机构：
[1] Sharif Univ Technol, Dept Chem, Tehran, Iran
来源：
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | 2003年 / 16卷 / 03期
关键词：
diallyl sulfide; unimolecular reaction; thermal decomposition; non-synchronous; concerted reaction; radical mechanism; homogeneity;
D O I：
10.1002/poc.587
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
The gas-phase kinetics of diallyl sulfide pyrolysis were studied experimentally and theoretically in a static system over. the temperature range 433-463 K and a total pressure of 80 Torr in a glass vessel with the free radical inhibitor cyclohexene. The experimental results show that this reaction is homogeneous, unimolecular and follows a first-order rate law. Theoretical studies at the B3LYP/6-31G* computational level indicate that the elimination reaction proceeds through a six-centered cyclic transition state and the reaction mechanism is concerted and non-synchronous. Copyright (C) 2003 John Wiley Sons, Ltd.
引用
收藏
页码：153 / 157
页数：5
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