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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F03%3A00008907%21RIV%2F2004%2FMSM%2F143104%2FN
rdf:type
skos:Concept n18:Vysledek
dcterms: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 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.
dcterms:title
Protonation, tautomerism and hydrogen bonding of purine analogues Protonation, tautomerism and hydrogen bonding of purine analogues
skos:prefLabel
Protonation, tautomerism and hydrogen bonding of purine analogues Protonation, tautomerism and hydrogen bonding of purine analogues
skos:notation
RIV/00216224:14310/03:00008907!RIV/2004/MSM/143104/N
n3:strany
SE3
n3:aktivita
n5:P
n3:aktivity
P(LN00A016)
n3:dodaniDat
n10:2004
n3:domaciTvurceVysledku
n14:8533113
n3:druhVysledku
n7:D
n3:duvernostUdaju
n17:S
n3:entitaPredkladatele
n12:predkladatel
n3:idSjednocenehoVysledku
624018
n3:idVysledku
RIV/00216224:14310/03:00008907
n3:jazykVysledku
n11:eng
n3:klicovaSlova
nmr, spectroscopy, small molecule
n3:klicoveSlovo
n8:small%20molecule n8:spectroscopy n8:nmr
n3:kontrolniKodProRIV
[E8E677FE6B7C]
n3:mistoKonaniAkce
Verona
n3:mistoVydani
Verona
n3:nazevZdroje
SMASH 2003
n3:obor
n16:CB
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
1
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n15:LN00A016
n3:rokUplatneniVysledku
n10:2003
n3:tvurceVysledku
Marek, Radek
n3:typAkce
n6:WRD
n3:zahajeniAkce
2003-09-14+02:00
s:numberOfPages
1
n19:hasPublisher
SMASH 2003 NMR
n20:organizacniJednotka
14310