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NMR Relaxation Dispersion of Liquids Adsorbed on Modified Surfaces of SBA-15 Mesoporous Silica

Gizatullin, Bulat ; Mattea, Carlos ; Stapf, Siegfried ; Wissel, Till ; Buntkowsky, Gerd (2024)
NMR Relaxation Dispersion of Liquids Adsorbed on Modified Surfaces of SBA-15 Mesoporous Silica.
In: The Journal of Physical Chemistry C, 2024, 128 (21)
doi: 10.26083/tuprints-00027456
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: NMR Relaxation Dispersion of Liquids Adsorbed on Modified Surfaces of SBA-15 Mesoporous Silica
Language: English
Date: 30 September 2024
Place of Publication: Darmstadt
Year of primary publication: 15 May 2024
Place of primary publication: Washington D.C.
Publisher: American Chemical Society
Journal or Publication Title: The Journal of Physical Chemistry C
Volume of the journal: 128
Issue Number: 21
DOI: 10.26083/tuprints-00027456
Corresponding Links:
Origin: Secondary publication DeepGreen
Abstract:

The NMR relaxation dispersion of ¹H and ²H nuclei in water and alkanes was studied in mesoporous SBA-15 silica in its native state and with modified internal surfaces. By comparison with silica gel of comparable characteristic pore size, a qualitative agreement of the relaxation dispersion was found. In the absence of detectable amounts of paramagnetic centers, intramolecular relaxation is approximated by the model of Reorientations Mediated by Translational Displacements (RMTD), which assumes rigid molecules diffusing along curved surfaces and experiencing long-term memory of their relative orientation due to their polarity. For all liquids, significant relaxation dispersion is found so that the vanishing polarity of alkanes does not allow the assumption of a negligible surface interaction. The difference in dispersion shape between ¹H and ²H nuclei, relaxing by dipolar and quadrupolar mechanisms, respectively, allows the reconstruction of the intermolecular contribution to relaxation, which has not yet been studied systematically in porous media. A model based on the relative contributions of intra- and intermolecular interactions as well as hydrogen exchange with OH- and NH₂-groups is presented.

Uncontrolled Keywords: Colloids, Liquids, Molecular modeling, Molecules, Silica
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-274563
Classification DDC: 500 Science and mathematics > 530 Physics
500 Science and mathematics > 540 Chemistry
Divisions: 07 Department of Chemistry > Eduard Zintl-Institut > Physical Chemistry
Date Deposited: 30 Sep 2024 12:20
Last Modified: 29 Oct 2024 07:56
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/27456
PPN: 522448801
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