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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F02%3A00005585%21RIV08-MSM-14310___
rdf:type
n4:Vysledek skos:Concept
dcterms:description
The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G** and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors. The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G** and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors. The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G** and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors.
dcterms:title
N7- and N9-substituted purine derivatives: a 15N NMR study N7- and N9-substituted purine derivatives: a 15N NMR study N7- and N9-substituted purine derivatives: a 15N NMR study
skos:prefLabel
N7- and N9-substituted purine derivatives: a 15N NMR study N7- and N9-substituted purine derivatives: a 15N NMR study N7- and N9-substituted purine derivatives: a 15N NMR study
skos:notation
RIV/00216224:14310/02:00005585!RIV08-MSM-14310___
n3:strany
353
n3:aktivita
n6:P
n3:aktivity
P(LN00A016)
n3:cisloPeriodika
5
n3:dodaniDat
n13:2008
n3:domaciTvurceVysledku
n14:8533113 n14:2050285
n3:druhVysledku
n8:J
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
656261
n3:idVysledku
RIV/00216224:14310/02:00005585
n3:jazykVysledku
n17:eng
n3:klicovaSlova
NMR; 1H NMR; 15N NMR; isotropic chemical shifts; shift tensor; regio-isomerism; purine; quantum-chemical calculation
n3:klicoveSlovo
n7:NMR n7:quantum-chemical%20calculation n7:shift%20tensor n7:15N%20NMR n7:regio-isomerism n7:isotropic%20chemical%20shifts n7:purine n7:1H%20NMR
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[72E5EBEEDB29]
n3:nazevZdroje
Magnetic Resonance in Chemistry
n3:obor
n12:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
5
n3:projekt
n16:LN00A016
n3:rokUplatneniVysledku
n13:2002
n3:svazekPeriodika
40
n3:tvurceVysledku
Kovács, Lajos Toušek, Jaromír Brus, Jiří Marek, Radek Hocková, Dana
s:issn
0749-1581
s:numberOfPages
8
n9:organizacniJednotka
14310