Homolytic SCl bond dissociation enthalpies of sulfenyl chlorides – a high-level G4 thermochemical study
作者： Robert J. O'Reilly , Mannix Balanay
DOI: 10.1016/J.CDC.2019.100180
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摘要: Abstract Numerous reactions between sulfenyl chlorides and organic molecules proceed by way of radical reactions, in which homolytic cleavage the S Cl bond is a key step. Owing to lack data concerning quantitative effect substituents governing strength bonds toward cleavage, present article reports an extensive dataset gas-phase dissociation enthalpies (BDEs) obtained using high-level G4 thermochemical protocol. The BDEs species this set range from 207.2 (ONSCl) 279.7 kJ mol−1 (tBuSCl), with HSCl having BDE 267.6 kJ mol−1. In addition, six sulfonyl have also been reported, these 267.2 kJ mol–1 (CF3SO2Cl) 283.0 kJ (FSO2Cl).
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