- Titel
- The effect of host size on binding in host–guest complexes of cyclodextrins and polyoxometalates
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:15-qucosa2-1024302
- Quellenangabe
- Chemical Science
Erscheinungsjahr: 2024
Jahrgang: 15
Heft: 30
Seiten: 11825-11836
ISSN: 2041-6520
E-ISSN: 2041-6539 - Erstveröffentlichung
- 2024
- Abstract (EN)
- Harnessing flexible host cavities opens opportunities for the design of novel supramolecular architectures that accommodate nanosized guests. This research examines unprecedented gas-phase structures of Keggin-type polyoxometalate PW12O403− (WPOM) and cyclodextrins (X-CD, X = α, β, γ, δ, ε, ζ) including previously unexplored large, flexible CDs. Using ion mobility spectrometry coupled to mass spectrometry (IM-MS) in conjunction with molecular dynamics (MD) simulations, we provide first insights into the binding modes between WPOM and larger CD hosts as isolated structures. Notably, γ-CD forms two distinct structures with WPOM through binding to its primary and secondary faces. We also demonstrate that ε-CD forms a deep inclusion complex, which encapsulates WPOM within its annular inner cavity. In contrast, ζ-CD adopts a saddle-like conformation in its complex with WPOM, which resembles its free form in solution. More intriguingly, the gas-phase CD–WPOM structures are highly correlated with their counterparts in solution as characterized by nuclear magnetic resonance (NMR) spectroscopy. The strong correlation between the gas- and solution phase structures of CD–WPOM complexes highlight the power of gas-phase IM-MS for the structural characterization of supramolecular complexes with nanosized guests, which may be difficult to examine using conventional approaches.
- Andere Ausgabe
- Erstveröffentlichung
DOI: 10.1039/d4sc01061b - Freie Schlagwörter (EN)
- cyclodextrins, polyoxometalates, host-guest complexes
- Klassifikation (DDC)
- 540
- Verlag
- The Royal Society of Chemistry, London
- Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:15-qucosa2-1024302
- Veröffentlichungsdatum Qucosa
- 19.02.2026
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch
- Lizenz / Rechtehinweis
CC BY-NC 4.0