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pubmed-article:12783550pubmed:issue23lld:pubmed
pubmed-article:12783550pubmed:dateCreated2003-6-4lld:pubmed
pubmed-article:12783550pubmed:abstractTextA novel anionic RSN(O)SR species, the intermediate in transnitrosation reactions, was explored computationally with B3LYP and CBS-QB3 methods. The species resembles a nitroxyl coordinated to a highly distorted disulfide, and it differs significantly from intermediates in nucleophilic acyl substitution. Reactions of the following species were computed for comparison: MeS(-) + MeSNO; MeO(-) + MeONO; MeS(-) + MeSCHO; MeO(-) + MeOCHO. The last two have very different intermediates from the first two. Mass spectrometric experimental evidence is presented that is consistent with the formation of a nitroxyl disulfide in the gas phase. The calculated proton affinity and redox potentials of the intermediate are also reported.lld:pubmed
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pubmed-article:12783550pubmed:volume125lld:pubmed
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pubmed-article:12783550pubmed:pagination6972-6lld:pubmed
pubmed-article:12783550pubmed:dateRevised2007-11-14lld:pubmed
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pubmed-article:12783550pubmed:articleTitleNitroxyl disulfides, novel intermediates in transnitrosation reactions.lld:pubmed
pubmed-article:12783550pubmed:affiliationDepartment of Chemistry and Biochemistry, University of California, Los Angeles, 405 Hilgard Avenue, Los Angeles, California 90095-1569, USA. houk@chem.ucla.edulld:pubmed
pubmed-article:12783550pubmed:publicationTypeJournal Articlelld:pubmed
pubmed-article:12783550pubmed:publicationTypeResearch Support, U.S. Gov't, P.H.S.lld:pubmed
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