Electronic structure of S-nitrosothiols from sulfur K-edge X-ray absorption spectroscopy. Martin-Diaconescu, V., Perepichka, I., Bohle, D., S., & Kennepohl, P. Can. J. Chem., 89(2):93-97, 2, 2011.
Electronic structure of S-nitrosothiols from sulfur K-edge X-ray absorption spectroscopy [link]Website  doi  abstract   bibtex   
Sulfur K-edge X-ray absorption spectroscopy (S K-edge XAS) was applied to investigate the electronic structure of primary and tertiary S-nitrosothiols. Our experimental data, supported by density functional calculations, indicate that changes at C(alpha) affect the S-nitroso group through both inductive and direct orbital effects. Furthermore, our data are consistent with a weakening of the S-N bond in tertiary S-nitrosothiols as compared to their primary S-nitroso analogues. These results support existing computational models and suggest that the reactivity of S-nitrosothiols is not dominated by the electronics of the S-N bond.
@article{
 title = {Electronic structure of S-nitrosothiols from sulfur K-edge X-ray absorption spectroscopy},
 type = {article},
 year = {2011},
 keywords = {SSRL},
 pages = {93-97},
 volume = {89},
 websites = {http://www.nrcresearchpress.com/doi/abs/10.1139/V10-083,http://dx.doi.org/10.1139/V10-083},
 month = {2},
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 created = {2017-09-06T15:15:27.123Z},
 accessed = {2013-05-29},
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 last_modified = {2018-05-23T19:56:41.091Z},
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 abstract = {Sulfur K-edge X-ray absorption spectroscopy (S K-edge XAS) was applied to investigate the electronic structure of primary and tertiary S-nitrosothiols. Our experimental data, supported by density functional calculations, indicate that changes at C(alpha) affect the S-nitroso group through both inductive and direct orbital effects. Furthermore, our data are consistent with a weakening of the S-N bond in tertiary S-nitrosothiols as compared to their primary S-nitroso analogues. These results support existing computational models and suggest that the reactivity of S-nitrosothiols is not dominated by the electronics of the S-N bond.},
 bibtype = {article},
 author = {Martin-Diaconescu, Vlad and Perepichka, Inna and Bohle, D Scott and Kennepohl, Pierre},
 doi = {10.1139/V10-083},
 journal = {Can. J. Chem.},
 number = {2}
}

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