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²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores

Steinrücken, Elisa ; Wissel, Till ; Brodrecht, Martin ; Breitzke, Hergen ; Regentin, Julia ; Buntkowsky, Gerd ; Vogel, Michael (2021)
²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores.
In: The Journal of Chemical Physics, 154 (11)
doi: 10.1063/5.0044141
Article, Bibliographie

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Abstract

We prepare various amino-acid functionalized silica pores with diameters of ∼6 nm and study the temperature-dependent reorientation dynamics of water in these confinements. Specifically, we link basic Lys, neutral Ala, and acidic Glu to the inner surfaces and combine 2H nuclear magnetic resonance spin–lattice relaxation and line shape analyses to disentangle the rotational motions of the surfaces groups and the crystalline and liquid water fractions coexisting below partial freezing. Unlike the crystalline phase, the liquid phase shows reorientation dynamics, which strongly depends on the chemistry of the inner surfaces. The water reorientation is slowest for the Lys functionalization, followed by Ala and Glu and, finally, the native silica pores. In total, the rotational correlation times of water at the different surfaces vary by about two orders of magnitude, where this span is largely independent of the temperature in the range ∼200–250 K.

Item Type: Article
Erschienen: 2021
Creators: Steinrücken, Elisa ; Wissel, Till ; Brodrecht, Martin ; Breitzke, Hergen ; Regentin, Julia ; Buntkowsky, Gerd ; Vogel, Michael
Type of entry: Bibliographie
Title: ²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores
Language: English
Date: 15 March 2021
Publisher: AIP Publishing
Journal or Publication Title: The Journal of Chemical Physics
Volume of the journal: 154
Issue Number: 11
DOI: 10.1063/5.0044141
Corresponding Links:
Abstract:

We prepare various amino-acid functionalized silica pores with diameters of ∼6 nm and study the temperature-dependent reorientation dynamics of water in these confinements. Specifically, we link basic Lys, neutral Ala, and acidic Glu to the inner surfaces and combine 2H nuclear magnetic resonance spin–lattice relaxation and line shape analyses to disentangle the rotational motions of the surfaces groups and the crystalline and liquid water fractions coexisting below partial freezing. Unlike the crystalline phase, the liquid phase shows reorientation dynamics, which strongly depends on the chemistry of the inner surfaces. The water reorientation is slowest for the Lys functionalization, followed by Ala and Glu and, finally, the native silica pores. In total, the rotational correlation times of water at the different surfaces vary by about two orders of magnitude, where this span is largely independent of the temperature in the range ∼200–250 K.

Identification Number: Artikel-ID: 114702
Divisions: 05 Department of Physics
05 Department of Physics > Institute for Condensed Matter Physics
05 Department of Physics > Institute for Condensed Matter Physics > Molecular dynamics of condensed matter
07 Department of Chemistry
07 Department of Chemistry > Eduard Zintl-Institut
07 Department of Chemistry > Eduard Zintl-Institut > Physical Chemistry
Date Deposited: 09 May 2022 08:58
Last Modified: 01 Aug 2024 08:29
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