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Protonation, tautomerism and hydrogen bonding of purine analogues

The result's identifiers

  • Result code in 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>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Protonation, tautomerism and hydrogen bonding of purine analogues

  • Original language description

    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.

  • Czech name

  • Czech description

Classification

  • Type

    D - Article in proceedings

  • CEP classification

    CB - Analytical chemistry, separation

  • OECD FORD branch

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

    2003

  • Confidentiality

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

Data specific for result type

  • Article name in the collection

    SMASH 2003

  • ISBN

  • ISSN

  • e-ISSN

  • Number of pages

    1

  • Pages from-to

    "SE3"

  • Publisher name

    SMASH 2003 NMR

  • Place of publication

    Verona

  • Event location

    Verona

  • Event date

    Sep 14, 2003

  • Type of event by nationality

    WRD - Celosvětová akce

  • UT code for WoS article