- Titel
- Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid State
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:15-qucosa2-976575
- Quellenangabe
- Angewandte Chemie - Internationale Version
Erscheinungsjahr: 2023
Jahrgang: 62
Artikelnummer: e202217725 - Erstveröffentlichung
- 2023
- Abstract (EN)
- The detection and characterization of trapped water molecules in chemical entities and biomacromolecules remains a challenging task for solid materials. We herein present proton-detected solid-state Nuclear Magnetic Resonance (NMR) experiments at 100 kHz magicangle spinning and at high static magnetic-field strengths (28.2 T) enabling the detection of a single water molecule fixed in the calix[4]arene cavity of a lanthanide complex by a combination of three types of noncovalent interactions. The water proton resonances are detected at a chemical-shift value close to zero ppm, which we further confirm by quantum-chemical calculations. Density Functional Theory calculations pinpoint to the sensitivity of the proton chemical-shift value for hydrogen-π interactions. Our study highlights how proton-detected solid-state NMR is turning into the method-of-choice in probing weak non-covalent interactions driving a whole branch of molecular-recognition events in chemistry and biology.
- Andere Ausgabe
- Link zur Erstveröffentlichung
Link: https://dx.doi.org/10.1002/anie.202217725 - Freie Schlagwörter (EN)
- Calixarene, DFT, Hydrogen-π Interaction, Lanthanide, Solid-State NMR
- Klassifikation (DDC)
- 540
- Verlag
- Wiley, Hoboken
- Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:15-qucosa2-976575
- Veröffentlichungsdatum Qucosa
- 24.06.2025
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch
- Lizenz / Rechtehinweis
CC BY-NC-ND 4.0