Article ID Journal Published Year Pages File Type
5394759 Computational and Theoretical Chemistry 2012 9 Pages PDF
Abstract
► We studied the methanolysis of paraoxon and the effects of sulfur substitution. ► An SN2-type mechanism is observed for the P-path and C-path. ► Except for the S:O5′ reaction the P-path is more favorable than C-path kinetically. ► Except for the S:O2′(or O2″) reaction the products of C-path are more accessible. ► The results are consistent with the previous experimental and theoretical studies.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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