15N NMR study of N7- and N9-substituted purine derivatives
The result's identifiers
Result code in 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>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
15N NMR study of N7- and N9-substituted purine derivatives
Original language description
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.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/LN00A016" target="_blank" >LN00A016: BIOMOLECULAR CENTER</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
16th European Experimental Nuclear Magnetic Resonance Conference
ISBN
80-86186-07-5
ISSN
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e-ISSN
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Number of pages
1
Pages from-to
"PB129"
Publisher name
Institute of Chemical Process Fundamentals, AS CR
Place of publication
Prague
Event location
June 9-14, Prague
Event date
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Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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