About: Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones

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About: Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 shifts induced by oxidation agree even better with experimental values and can be used to determine the oxidation state of sulfur atom. 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 shifts induced by oxidation agree even better with experimental values and can be used to determine the oxidation state of sulfur atom. (en)
Title	Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones (en)
skos:prefLabel	Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones (en)
skos:notation	RIV/61388963:_____/10:00353127!RIV11-GA0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/1919), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Buděšínský, Miloš Dračínský, Martin Pohl, Radek Slavětínská, Lenka
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	276138
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/10:00353127
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	NMR; DFT calculations; sulfoxides; 1H; 13C (en)
http://linked.open.../riv/klicoveSlovo	NMR DFT calculations 13C 1H sulfoxides
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[AED1C079E0EE]
http://linked.open...i/riv/nazevZdroje	Magnetic Resonance in Chemistry
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of methods for configuration determination at chiral sulfur, nitrogen or phosphorus atom using NMR spectroscopy and ab initio calculations
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	48
http://linked.open...iv/tvurceVysledku	Buděšínský, Miloš Dračínský, Martin Pohl, Radek Slavětínská, Lenka
http://linked.open...ain/vavai/riv/wos	000281263300008
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0749-1581
number of pages	9 (xsd:int)

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