Journal Article

PUBDB-2023-06048

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png The Structure of Water Under Confinement in Periodic Mesoporous Organosilicas Investigated by X-Ray Scattering

Gießelmann, N. C. ; Lenz, P.Extern* ; Meinert, S.-M. ; Simon, T.Extern* ; Jo, W.XFEL.EU*DESY* ; Striker, N. N. ; Fröba, M. (Corresponding author) ; Lehmkühler, F. (Corresponding author)XFEL.EU*DESY*

2024
Soc. Washington, DC

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Please use a persistent id in citations: doi:10.1021/acs.jpcc.3c06491  doi:10.3204/PUBDB-2023-06048

Abstract: The effect of pore wall chemistry and pore diameter on the structure of confined water was studied by X-ray scattering on water confined in periodic mesoporous organosilicas (PMOs). A shift in the first structure factor peak at q $≈$ 1.8 Å$^{−1}$ reveals a variation in the density of the confined water in dependence of hydrophilicity and pore size. Smaller and more hydrophilic pores induce a lower density in the water. In contrast to bulk water, the pair distribution functions (PDFs) of confined water show a splitting of the second-neighbour peak into either two, in the case of smaller and more hydrophilic pores, or three separate peaks, in larger and more hydrophobic pores. From the running coordination number we conclude that smaller and more hydrophilic confinement leads to a stronger developed tetrahedral network in confined water, while confinement in larger and hydrophobic pores give tetrahedral arrangements that are bulk-like or even less pronounced than in bulk water.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)
2. MID (XFEL_E1_MID)
3. DOOR-User (DOOR ; HAS-User)

Research Program(s):

1. 633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633) (POF4-633)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. FS-Proposal: I-20200440 (I-20200440) (I-20200440)
4. FS-Proposal: I-20190201 (I-20190201) (I-20190201)
5. DFG project 390715994 - EXC 2056: CUI: Advanced Imaging of Matter (390715994) (390715994)
6. DFG project 194651731 - EXC 1074: Hamburger Zentrum für ultraschnelle Beobachtung (CUI): Struktur, Dynamik und Kontrolle von Materie auf atomarer Skala (194651731) (194651731)

Experiment(s):

1. PETRA Beamline P02.1 (PETRA III)

Appears in the scientific report 2024

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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