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Journal article

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

From

Risø National Laboratory for Sustainable Energy, Technical University of Denmark1

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.

Language: English
Year: 1980
Pages: 188-190
ISSN: 13645471 , 1472779x , 03009580 and 20508239
Types: Journal article
DOI: 10.1039/P29800000188

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