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OH-induced oxidative cleavage of dimethyl disulfide in the presence of NO.
Autorzy
Rok wydania
2013
Czasopismo
Journal of Physical Chemistry A
Numer woluminu
117
Strony
8263-8273
DOI
10.1021/jp4047837
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
We report the results of the theoretical study of •OH-induced oxidative cleavage of dimethyl disulfide (DMDS) and the experimental study of the CH3SSCH3 + •OH reaction in the presence of •NO. Infrared low temperature argon matrix studies combined with ab initio calculations allowed us to identify cis-CH3SONO, which evidences the formation of the CH3SO• and CH3SH molecules in the course of the CH3SSCH3 + •OH reaction. Ab initio/quantum chemical topology calculations revealed details of the oxidative cleavage of dimethyl disulfide, which is a complex multistep process involving an alteration of S–O and S–S covalent bonds as well as a hydrogen atom transfer. The ability of delocalization of the unpaired electron density by sulfur atoms and a formation of a hydrogen bond by CH3SO• and CH3SH are the factors which seem to explain antiradical properties of DMDS.
Adres publiczny
http://dx.doi.org/10.1021/jp4047837
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