15N NMR study of N7- and N9-substituted purine derivatives

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F02%3A00006185" target="_blank" >RIV/00216224:14310/02:00006185 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

15N NMR study of N7- and N9-substituted purine derivatives

Popis výsledku v původním jazyce

Since 15N NMR parameters are sensitive indicators of the structural and electronic arrangements in organic compounds2 we used 15N NMR spectroscopy for investigating a set of N7- and N9-substituted purine analogues. The 15N NMR chemical shifts of N7- andN9-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.

Název v anglickém jazyce

15N NMR study of N7- and N9-substituted purine derivatives

Popis výsledku anglicky

Since 15N NMR parameters are sensitive indicators of the structural and electronic arrangements in organic compounds2 we used 15N NMR spectroscopy for investigating a set of N7- and N9-substituted purine analogues. The 15N NMR chemical shifts of N7- andN9-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.

Druh

D - Stať ve sborníku

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/LN00A016" target="_blank" >LN00A016: BIOMOLEKULÁRNÍ CENTRUM</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2002

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

16th European Experimental Nuclear Magnetic Resonance Conference

ISBN

80-86186-07-5

ISSN

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e-ISSN

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Počet stran výsledku

1

Strana od-do

"PB129"

Název nakladatele

Institute of Chemical Process Fundamentals, AS CR

Místo vydání

Prague

Místo konání akce

June 9-14, Prague

Datum konání akce

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Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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