Tautomeric Equilibria of Purine Derivatives Studied by Low-Temperature NMR Spectroscopy

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F04%3A00010134" target="_blank" >RIV/00216224:14310/04:00010134 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Tautomeric Equilibria of Purine Derivatives Studied by Low-Temperature NMR Spectroscopy

Original language description

Due to the fast chemical exchange between the tautomers at laboratory temperature, in the NMR spectra we can often see only one set of signals, representing the weighted average of contributions of each tautomers. Measuring the NMR spectra at low-temperature enables us to separate the signals of tautomers due to the slowing down the chemical exchange process. The NMR signals were assigned to individual tautomers on the basis of heteronuclear 2D correlation spectra. The characteristic chemical shifts andcoupling constants were used for determining the proton position on purine skeleton. The NMR parameters were also calculated by quantum chemical calculations and correlated with the experimental data. Combination of these two methods helps us to understand better the dependence of tautomeric populations and electronic distribution on the substitution patterns.

Czech name

Tautomerni rovnovahy purinovych derivatu studovane pomoci nizkoteplotni NMR spektroskopie

Czech description

Diky rychle chemicke vymene mezi tautomery za laboratorni teploty vidime casto v NMR spektru pouze signaly odpovidajici zprumerovanemu prispevku vsech tautomeru. Pri nizke teplote dochazi ke zpomaleni chemicke vymeny a umoznuje rozlisit signaly jednotlivych tautomeru. NMR signaly byly prirazeny na zaklade 2D korelacnich spekter. Pro urceni pozice protonu na purinovem skeletonu jsme vyuzili charakteristickych chemickych posunu a interakcnich konstant. NMR parametry byly take vypocteny pomoci kvantove chemickyh vypoctu a korelovany s experimentalnimi daty. Kombinace techto dvou metod umoznuje lepsi porozumeni zavislosti tautomerniho zastoupeni na substituci purinu.

Type

D - Article in proceedings

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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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)

Publication year

2004

Confidentiality

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

Article name in the collection

VII Synthetic Chemistry Meeting and XXVI Finnish NMR Symposium

ISBN

951-39-1846-7

ISSN

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e-ISSN

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Number of pages

1

Pages from-to

85-85

Publisher name

Department of Chemistry, University of Jyväskylä

Place of publication

Jyväskylä, Finland

Event location

Keuruu, Finland

Event date

Jun 8, 2004

Type of event by nationality

EUR - Evropská akce

UT code for WoS article

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