Theoretical study of the catalytic desulfurization mechanism of thiiren and its methyl derivative
The desulfurization process of compounds implicates two steps.The first step is the adsorption process on the catalytic site and the second, the breaking of the carbon-heteroatom bond leading to the heteroatom elimination.The adsorption process of thiiren have been studied and published in previous works.The results obtained on MoS3H3+ and MoS4H4 h