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Intercalation of cyclic ethers into vanadyl phosphate
Vítezslav Zima1, Klára Melánová, Ludvík Benes
1Joint Laboratory of Solid State Chemistry University of Pardubice, Studentská 84 53210 Pardubice, Czech Republic. vitezslav.zima@upce.cz
Chemistry (Weinheim an Der Bergstrasse, Germany)
|April 5, 2002
Summary
Tetrahydrofuran (THF) and tetrahydropyran (THP) were successfully intercalated into vanadyl phosphate, exhibiting high thermal stability. The cyclic ethers anchor to the host layers via oxygen atoms coordinated to vanadium, confirmed by molecular simulations.
Area of Science:
- Materials Science
- Inorganic Chemistry
- Solid-State Chemistry
Background:
- Vanadyl phosphate (VOPO4) is a layered material with potential applications in intercalation chemistry.
- Understanding the interaction of organic molecules with inorganic hosts is crucial for developing new functional materials.
Purpose of the Study:
- To intercalate cyclic ethers, tetrahydrofuran (THF) and tetrahydropyran (THP), into vanadyl phosphate.
- To characterize the resulting intercalates and determine their structural and thermal properties.
Main Methods:
- X-ray powder diffraction for structural analysis.
- Thermogravimetry for thermal stability assessment.
- Infrared (IR) and Raman spectroscopy for chemical characterization.
- Molecular simulations (Cerius(2) 4.5) for structural arrangement analysis.
Main Results:
- Both THF and THP were successfully intercalated into VOPO4 with a 1:1 guest-to-host ratio.
- The intercalates demonstrated high thermal stability compared to other organic intercalates.
- Ethers are coordinated to VOPO4 host layers through their oxygen atoms bonded to vanadium.
- Molecular simulations provided insights into the probable arrangement of THP within the interlayer space.
Conclusions:
- Cyclic ethers THF and THP can be effectively intercalated into vanadyl phosphate.
- The resulting intercalates possess significant thermal stability due to specific host-guest interactions.
- The study elucidates the coordination chemistry and structural organization of organic molecules within vanadyl phosphate interlayers.