Effect of Exchange Dynamics on the NMR Relaxation of Water in Porous Silica

The interaction of molecules, in particular, water, with solid interfaces has been studied by a multitude of methods, among them nuclear magnetic resonance spin relaxation. The frequency dependence of the relaxation times follows patterns that have been interpreted in terms of the molecular orientation and dynamics. Several different model approaches could successfully explain limiting cases of <sup>1</sup>H relaxation dispersion in systems with rigid surfaces such as silica gel or glass, but none of them can reproduce the relaxation of both <sup>1</sup>H and <sup>2</sup>H nuclei, which differ in their respective relaxation mechanisms, dipolar vs quadrupolar. From detailed studies of the dynamics of hydration of water in biological materials, the importance of hydrogen and molecular exchange to the longitudinal relaxation time of T<sub>1</sub> was demonstrated. In this work, exchange times of both H<sub>2</sub>O and D<sub>2</sub>O in hydrophilic silica gel are varied in a controlled fashion in a wide range using disodium hydrogen phosphate, and the effect of physical exchange on spin relaxation is quantified for the first time in such systems using the exchange-mediated reorientation model.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2024-11-05
DOI
https://doi.org/10.1021/acs.jpclett.4c02590
Citations
5
Primary Topic
NMR spectroscopy and applications
Type
article
Field-Weighted Citation Impact
3.30

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article

Effect of Exchange Dynamics on the NMR Relaxation of Water in Porous Silica

Siegfried Stapf, Carlos Mattea, Bulat Gizatullin
5 citations
The Journal of Physical Chemistry Letters
NMR spectroscopy and applications
3.30
article

Effect of Exchange Dynamics on the NMR Relaxation of Water in Porous Silica

Siegfried Stapf, Carlos Mattea, Bulat Gizatullin
article en
5 citations

Abstract

The interaction of molecules, in particular, water, with solid interfaces has been studied by a multitude of methods, among them nuclear magnetic resonance spin relaxation. The frequency dependence of the relaxation times follows patterns that have been interpreted in terms of the molecular orientation and dynamics. Several different model approaches could successfully explain limiting cases of <sup>1</sup>H relaxation dispersion in systems with rigid surfaces such as silica gel or glass, but none of them can reproduce the relaxation of both <sup>1</sup>H and <sup>2</sup>H nuclei, which differ in their respective relaxation mechanisms, dipolar vs quadrupolar. From detailed studies of the dynamics of hydration of water in biological materials, the importance of hydrogen and molecular exchange to the longitudinal relaxation time of T<sub>1</sub> was demonstrated. In this work, exchange times of both H<sub>2</sub>O and D<sub>2</sub>O in hydrophilic silica gel are varied in a controlled fashion in a wide range using disodium hydrogen phosphate, and the effect of physical exchange on spin relaxation is quantified for the first time in such systems using the exchange-mediated reorientation model.

The Journal of Physical Chemistry LettersVol. 15(45)
Technische Universität Ilmenau (DE)
Deutsche Forschungsgemeinschaft
Clean water and sanitation
Openalex Percentile: Top 6%
NMR spectroscopy and applications
3.30
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