Oxathiirans: Part 5. Oxathiiran O-Oxide a Possible Intermediate in the Reaction between Singlet Oxygen and Thiocarbonyl Compounds

Lars Carlsen

    Research output: Contribution to journalJournal articleResearch

    Abstract

    The reaction between thioformaldehyde and singlet oxygen has been investigated theoretically within a CNDO/B framework. Potential energy surface calculations predict a multistep mechanism involving primary formation of an oxathiiran O-oxide, which rearranges into a 1,2,3-dioxathietan system. Two possible rearrangement pathways are discussed. The four-membered ring is tentatively suggested to decompose via a biradicaloid intermediate.
    Original languageEnglish
    JournalJournal of the Chemical Society
    Issue number1
    Pages (from-to)188-190
    DOIs
    Publication statusPublished - 1980

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