Protonation, tautomerism and hydrogen bonding of purine analogues

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F03%3A00008907" target="_blank" >RIV/00216224:14310/03:00008907 - 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

Protonation, tautomerism and hydrogen bonding of purine analogues

Popis výsledku v původním jazyce

The variously substituted purine derivatives were investigated by using inverse-detected 15N NMR spectroscopy in the solution at a range of temperatures. Slow-spinning 15N CP/MAS data of selected compounds were recorded in order to study intermolecular interactions in the solid-state and principal values of the 15N chemical shift tensors. DFT calculations of nitrogen chemical shifts were used for determining the solvation effects in the solution and bonding patterns in the solid state, assigning the nitrogen resonances observed in the solid-state spectra, and determining the orientation of the principal components of the chemical shift tensors. Structural arrangements have been correlated with the geometry obtained from single-crystal X-ray diffractionanalysis. Benefits of studying the structure by all these approaches will be discussed.

Název v anglickém jazyce

Protonation, tautomerism and hydrogen bonding of purine analogues

Popis výsledku anglicky

The variously substituted purine derivatives were investigated by using inverse-detected 15N NMR spectroscopy in the solution at a range of temperatures. Slow-spinning 15N CP/MAS data of selected compounds were recorded in order to study intermolecular interactions in the solid-state and principal values of the 15N chemical shift tensors. DFT calculations of nitrogen chemical shifts were used for determining the solvation effects in the solution and bonding patterns in the solid state, assigning the nitrogen resonances observed in the solid-state spectra, and determining the orientation of the principal components of the chemical shift tensors. Structural arrangements have been correlated with the geometry obtained from single-crystal X-ray diffractionanalysis. Benefits of studying the structure by all these approaches will be discussed.

Druh

D - Stať ve sborníku

CEP obor

CB - Analytická chemie, separace

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

2003

Kód důvěrnosti údajů

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

Název statě ve sborníku

SMASH 2003

ISBN

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ISSN

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e-ISSN

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Počet stran výsledku

1

Strana od-do

"SE3"

Název nakladatele

SMASH 2003 NMR

Místo vydání

Verona

Místo konání akce

Verona

Datum konání akce

14. 9. 2003

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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