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  • 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 diffraction analysis. Benefits of studying the structure by all these approaches will be discussed.
  • 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 diffraction analysis. Benefits of studying the structure by all these approaches will be discussed. (en)
Title
  • Protonation, tautomerism and hydrogen bonding of purine analogues
  • Protonation, tautomerism and hydrogen bonding of purine analogues (en)
skos:prefLabel
  • Protonation, tautomerism and hydrogen bonding of purine analogues
  • Protonation, tautomerism and hydrogen bonding of purine analogues (en)
skos:notation
  • RIV/00216224:14310/03:00008907!RIV/2004/MSM/143104/N
http://linked.open.../vavai/riv/strany
  • SE3
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  • P(LN00A016)
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  • 624018
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  • RIV/00216224:14310/03:00008907
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  • nmr, spectroscopy, small molecule (en)
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http://linked.open...ontrolniKodProRIV
  • [E8E677FE6B7C]
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  • Verona
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  • Verona
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  • SMASH 2003
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http://linked.open...vavai/riv/projekt
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  • Marek, Radek
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
number of pages
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  • SMASH 2003 NMR
http://localhost/t...ganizacniJednotka
  • 14310
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