A Comprehensive Study on the Mechanism of Diallyl D isulfide (All۲S۲) Thermal Deco mposition in the Gas Phase

Organic disulfides are less stable than the correspon ding sulfides and ther efore readily undergo diverse transformations and react w ith organic compounds under the liquid and gas phase thermolysis c onditions. The existence of an equilibrium at the room temperature between these com pounds and thiosulfoxides, which formed by facile [۲,۳]-sigmatropic process have been proved [۱]. In additio n to [۲,۳]-sigmatropic rearrangem ent, a secon d parallel process accompany with All۲S۲ homolytic bo nd cleavage. Since it has not bee n reported any mechan istic study on the gas phase pyroly sis reaction of diallyl disulfide so fa r, a compre hensive study with the aim of elucidation the molecular mechanism as sociated with this pyrolysis process is done in order to have a precise idea of the re action path way.

کلیدواژه ها:

Radical mechanism ، Diallyl disu lfide ، DFT ، Thermal decomposition