| Abstract: | Computer modeling predicts that the methyl bis(methylthio) sulfonium cation can act as an efficient electrophile for sulfide bond formation in which the sulfur atoms at the side position of the cation react with the phenyl ring of an aromatic molecule. The electrophilic reaction mechanism of phenyl bis-(phenylthio) sulfonium cation with anisole was examined using computer simulation. The reaction between phenyl bis- (phenylthio) sulfonium cation, which is a homogeneous structure of thecation, and anisole shows the efficient formation of 4-phenylthioanisole with diphenyl disulfide as a by-product. In the oxidative polymerization of diphenyl disulfide, the formation process of polyp-phenylene sulfide) includes an elementary reaction between the phenylthio group at each side position of the phenyl bis(phenylthio) sulfonium cation and the carbon at the para position of the phenyl ring. |
