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Binary Co-Crystals of Quercetin: Synthesis, Structure, and Spectroscopic Characterization
Urszula Maciołek1, Ewaryst Mendyk1, Marcin Kuśmierz1
1Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Skłodowska University, 20-031, Lublin, Poland.
Chempluschem
|June 20, 2023
Summary
Researchers developed new quercetin co-crystals using mechanochemistry. Hydrogen bonding dynamics were studied, revealing no proton transfer in some systems, while others showed static disorder across proton transfer pathways.
Area of Science:
- Solid-state chemistry
- Crystallography
- Materials science
Background:
- Quercetin (QUE) is a flavonoid with potential therapeutic properties.
- Co-crystallization is a strategy to improve drug properties.
- Mechanochemical methods offer solvent-free synthesis routes.
Purpose of the Study:
- To synthesize novel quercetin co-crystals using mechanochemistry.
- To characterize the structural and bonding properties of the new co-crystals.
- To investigate the hydrogen bond dynamics and proton transfer phenomena.
Main Methods:
- Mechanochemical synthesis of quercetin co-crystals.
- X-ray crystallography for structural determination.
- FT-IR and FT-Raman spectroscopy for vibrational analysis.
- X-ray Photoelectron Spectroscopy (XPS) for hydrogen bond dynamics.
Main Results:
- Four new quercetin co-crystals were successfully synthesized.
- Co-crystal stoichiometries varied (1:2 and 1:1) depending on the co-former.
- Intermolecular hydrogen bonds (O-H…N or N-H…O) were confirmed.
- XPS revealed no proton transfer in QUE:FEN and QUE:O-DIA systems.
- QUE:BZFP and QUE:EBZFP co-crystals exhibited static disorder in proton transfer pathways.
Conclusions:
- Mechanochemistry is effective for creating quercetin co-crystals with diverse structures.
- Hydrogen bonding plays a crucial role in the formation and properties of these co-crystals.
- The study provides insights into proton transfer dynamics in co-crystalline systems.
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