| Author(s) |
O'Reilly, Robert
Balanay, Mannix
|
| Publication Date |
2019
|
| Abstract |
<p>Numerous reactions between sulfenyl chlorides and organic molecules proceed by way of radical reactions, in which homolytic cleavage of the S-Cl bond is a key step. Owing to the lack of data concerning the quantitative effect of substituents in governing the strength of S-Cl bonds toward homolytic cleavage, the present article reports an extensive dataset of gas-phase S-Cl bond dissociation enthalpies (BDEs) obtained using the high-level G4 thermochemical protocol. The BDEs of the species in this set range from 207.2 (ONSCl) to 279.7 kJ mol<sup>−1</sup> (<i>t</i>BuSCl), with HSCl having a BDE of 267.6 kJ mol<sup>−1</sup>. In addition, the gas-phase S-Cl BDEs of six sulfonyl chlorides have also been reported, and these range from 267.2 kJ mol<sup>–1</sup> (CF<sub>3</sub>SO<sub>2</sub>Cl) to 283.0 kJ mo1<sup>-1</sup> (FSO<sub>2</sub>Cl).</p>
|
| Citation |
Chemical Data Collections, v.19
|
| ISSN |
2405-8300
|
| Link | |
| Language |
en
|
| Publisher |
Elsevier BV
|
| Title |
Homolytic S-Cl bond dissociation enthalpies of sulfenyl chlorides – a high-level G4 thermochemical study
|
| Type of document |
Journal Article
|
| Entity Type |
Publication
|
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