Haro Mares, Nadia B. ; Döller, Sonja C. ; Wissel, Till ; Hoffmann, Markus ; Vogel, Michael ; Buntkowsky, Gerd (2024)
Structures and dynamics of complex guest molecules in confinement, revealed by solid-state NMR, molecular dynamics, and calorimetry.
In: Molecules, 29 (7)
doi: 10.3390/molecules29071669
Artikel, Bibliographie
Dies ist die neueste Version dieses Eintrags.
Kurzbeschreibung (Abstract)
This review gives an overview of current trends in the investigation of confined molecules such as water, small and higher alcohols, carbonic acids, ethylene glycol, and non-ionic surfactants, such as polyethylene glycol or Triton-X, as guest molecules in neat and functionalized mesoporous silica materials employing solid-state NMR spectroscopy, supported by calorimetry and molecular dynamics simulations. The combination of steric interactions, hydrogen bonds, and hydrophobic and hydrophilic interactions results in a fascinating phase behavior in the confinement. Combining solid-state NMR and relaxometry, DNP hyperpolarization, molecular dynamics simulations, and general physicochemical techniques, it is possible to monitor these confined molecules and gain deep insights into this phase behavior and the underlying molecular arrangements. In many cases, the competition between hydrogen bonding and electrostatic interactions between polar and non-polar moieties of the guests and the host leads to the formation of ordered structures, despite the cramped surroundings inside the pores.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Haro Mares, Nadia B. ; Döller, Sonja C. ; Wissel, Till ; Hoffmann, Markus ; Vogel, Michael ; Buntkowsky, Gerd |
| Art des Eintrags: | Bibliographie |
| Titel: | Structures and dynamics of complex guest molecules in confinement, revealed by solid-state NMR, molecular dynamics, and calorimetry |
| Sprache: | Englisch |
| Publikationsjahr: | 8 April 2024 |
| Ort: | Basel |
| Verlag: | MDPI |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Molecules |
| Jahrgang/Volume einer Zeitschrift: | 29 |
| (Heft-)Nummer: | 7 |
| Kollation: | 26 Seiten |
| DOI: | 10.3390/molecules29071669 |
| Zugehörige Links: | |
| Kurzbeschreibung (Abstract): | This review gives an overview of current trends in the investigation of confined molecules such as water, small and higher alcohols, carbonic acids, ethylene glycol, and non-ionic surfactants, such as polyethylene glycol or Triton-X, as guest molecules in neat and functionalized mesoporous silica materials employing solid-state NMR spectroscopy, supported by calorimetry and molecular dynamics simulations. The combination of steric interactions, hydrogen bonds, and hydrophobic and hydrophilic interactions results in a fascinating phase behavior in the confinement. Combining solid-state NMR and relaxometry, DNP hyperpolarization, molecular dynamics simulations, and general physicochemical techniques, it is possible to monitor these confined molecules and gain deep insights into this phase behavior and the underlying molecular arrangements. In many cases, the competition between hydrogen bonding and electrostatic interactions between polar and non-polar moieties of the guests and the host leads to the formation of ordered structures, despite the cramped surroundings inside the pores. |
| Freie Schlagworte: | confinement, NMR, molecular dynamics, mesoporous silica |
| ID-Nummer: | Artikel-ID: 1669 |
| Zusätzliche Informationen: | This article belongs to the Special Issue Gulliver in the Country of Lilliput: An Interplay of Noncovalent Interactions (Volume II) |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 530 Physik 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 05 Fachbereich Physik 05 Fachbereich Physik > Institut für Physik Kondensierter Materie (IPKM) 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 14 Mai 2024 06:42 |
| Letzte Änderung: | 14 Mai 2024 09:07 |
| PPN: | 518252655 |
| Export: | |
| Suche nach Titel in: | TUfind oder in Google |
Verfügbare Versionen dieses Eintrags
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Structures and Dynamics of Complex Guest Molecules in Confinement, Revealed by Solid-State NMR, Molecular Dynamics, and Calorimetry. (deposited 13 Mai 2024 13:37)
- Structures and dynamics of complex guest molecules in confinement, revealed by solid-state NMR, molecular dynamics, and calorimetry. (deposited 14 Mai 2024 06:42) [Gegenwärtig angezeigt]
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