Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F10%3A00353127" target="_blank" >RIV/61388963:_____/10:00353127 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones
Original language description
A series of model sulfides was oxidized to sulfoxides and sulfones. The correlation between observed and calculated (DFT B3LYP/6-31G*) chermical shifts is very good for carbon atoms and less satisfactory for hydrogen atoms. Calculated 13C chemical shiftsinduced by oxidation agree even better with experimental values and can be used to determine the oxidation state of sulfur atom.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA203%2F09%2F1919" target="_blank" >GA203/09/1919: Development of methods for configuration determination at chiral sulfur, nitrogen or phosphorus atom using NMR spectroscopy and ab initio calculations</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Magnetic Resonance in Chemistry
ISSN
0749-1581
e-ISSN
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Volume of the periodical
48
Issue of the periodical within the volume
9
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
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UT code for WoS article
000281263300008
EID of the result in the Scopus database
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