Repozytorium Uniwersytetu Jagiellońskiego

Water confinement in faujasite cages : a deuteron NMR investigation in a wide temperature range. 1, Low temperature spectra

Water confinement in faujasite cages : a deuteron ...

Metadane (Dublin Core) Szymocha, Agnieszka pl Birczyński, Artur pl Lalowicz, Zdzisław T. pl Stoch, Grzegorz pl Krzystyniak, Matthew pl Góra-Marek, Kinga [SAP11018751] pl 2015-06-17T10:41:25Z 2015-06-17T10:41:25Z 2014 pl
dc.identifier.issn 1089-5639 pl
dc.language eng pl
dc.title Water confinement in faujasite cages : a deuteron NMR investigation in a wide temperature range. 1, Low temperature spectra pl
dc.type JournalArticle pl
dc.description.physical 5359-5370 pl
dc.abstract.en Deuteron NMR spectra were measured for D 2 O con fi ned in NaX, NaY, and DY faujasites with various D 2 O loadings at temperatures ranging from T =70Kto T = 200 K with the aim to study the molecular mobility of con fi ned water as a function of Si/Al ratio and loading. The recorded spectra were fi tted with linear combinations of representative spectral components. At low loading, with the number of water molecules per unit cell close to the abundance of sodium cations, a component related to π -jumps of water deuterons about the 2-fold symmetry axis dominated. For loadings at levels 3 times and 5 times higher than the initial loading level, Pake dublets due to rigid water deuterons dominated the recorded spectra. A set of the quadrupole coupling constant values of localized water deuterons was derived from the analysis of the Pake dublets. Their values were attributed to deuteron positions corresponding to the locations at oxygen atoms in the faujasite framework and locations within hydrogen-bonded water clusters inside faujasite cages. The contributions of the di ff erent spectral components were observed to change with increasing temperature according to the Arrhenius law with a characteristic dynamic crossover point at T = 165 K. Below T = 165 K a spectral component was observed whose contribution changed with temperature, yielding the activation energy of about 2 kJ/mol, characteristic for jumps between inversion-related water positions in clusters. pl
dc.description.volume 118 pl
dc.description.number 29 pl
dc.identifier.doi 10.1021/jp504648s pl
dc.identifier.eissn 1520-5215 pl
dc.title.journal The Journal of Physical Chemistry. A pl
dc.language.container eng pl
dc.affiliation Wydział Chemii : Zakład Chemii Nieorganicznej pl
dc.subtype Article pl
dc.rights.original bez licencji pl
.pointsMNiSW [2014 A]: 30

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