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

Lars Carlsen

doi:10.1039/P29800000188

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

Lars Carlsen

Research output: Contribution to journal › Journal article › Research

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 language	English
Journal	Royal Chemical Society. Journal. Perkin Transactions 2
Issue number	1
Pages (from-to)	188-190
ISSN	1472-779X
DOIs	https://doi.org/10.1039/P29800000188
Publication status	Published - 1980

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

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.",

author = "Lars Carlsen",

year = "1980",

doi = "10.1039/P29800000188",

language = "English",

pages = "188--190",

journal = "Royal Chemical Society. Journal. Perkin Transactions 2",

issn = "1472-779X",

publisher = "Royal Society of Chemistry",

number = "1",

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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 -

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

Abstract

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