TY - JOUR
T1 - Oxathiirans
T2 - Part 5. Oxathiiran O-Oxide a Possible Intermediate in the Reaction between Singlet Oxygen and Thiocarbonyl Compounds
AU - Carlsen, Lars
PY - 1980
Y1 - 1980
N2 - 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.
AB - 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.
U2 - 10.1039/P29800000188
DO - 10.1039/P29800000188
M3 - Journal article
SN - 1472-779X
SP - 188
EP - 190
JO - Royal Chemical Society. Journal. Perkin Transactions 2
JF - Royal Chemical Society. Journal. Perkin Transactions 2
IS - 1
ER -