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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F10%3A00353127%21RIV11-GA0-61388963
rdf:type
skos:Concept n18:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/61388963:_____/10:00353127!RIV11-GA0-61388963
n4:aktivita
n11:Z n11:P
n4:aktivity
P(GA203/09/1919), Z(AV0Z40550506)
n4:cisloPeriodika
9
n4:dodaniDat
n7:2011
n4:domaciTvurceVysledku
n5:7345828 n5:6236219 n5:1570889 n5:3603652
n4:druhVysledku
n13:J
n4:duvernostUdaju
n9:S
n4:entitaPredkladatele
n15:predkladatel
n4:idSjednocenehoVysledku
276138
n4:idVysledku
RIV/61388963:_____/10:00353127
n4:jazykVysledku
n16:eng
n4:klicovaSlova
NMR; DFT calculations; sulfoxides; 1H; 13C
n4:klicoveSlovo
n6:DFT%20calculations n6:NMR n6:sulfoxides n6:1H n6:13C
n4:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n4:kontrolniKodProRIV
[AED1C079E0EE]
n4:nazevZdroje
Magnetic Resonance in Chemistry
n4:obor
n8:CC
n4:pocetDomacichTvurcuVysledku
4
n4:pocetTvurcuVysledku
4
n4:projekt
n17:GA203%2F09%2F1919
n4:rokUplatneniVysledku
n7:2010
n4:svazekPeriodika
48
n4:tvurceVysledku
Slavětínská, Lenka Dračínský, Martin Pohl, Radek Buděšínský, Miloš
n4:wos
000281263300008
n4:zamer
n14:AV0Z40550506
s:issn
0749-1581
s:numberOfPages
9