Lamellar Crystal Structure and Haldane Magnetism in NH4VPO4OH

A novel vanadium hydroxide‐phosphate, NH4VPO4OH, was synthesized hydrothermally in V2O5−NH4H2PO4‐citric acid system at 230 °C. It was characterized by XRD, TG‐DSC, SEM‐EDX, FTIR and NMR spectroscopy. NH4VPO4OH is isostructural with NH4GaPO4OH and features edge‐sharing chains of VO6 octahedra. These...

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Bibliographic Details
Published in:Angewandte Chemie 2024-01, Vol.136 (3), p.n/a
Main Authors: Samarin, Aleksandr Sh, Trussov, Ivan A., Pchelkina, Zlata V., Fedotov, Stanislav S., Ovchenkov, Yevgeniy A., Zhurenko, Sergei V., Tkachev, Alexei V., Gippius, Andrei A., Shvanskaya, Larisa V., Vasiliev, Alexander N.
Format: Article
Language:English
Subjects:
Ammonium
Ammonium dihydrogen phosphate
Cations
Chemistry
Citric acid
Crystal Structure
Exchange Interactions
First principles
Hydrothermal Synthesis
Lamellar structure
Magnetic resonance spectroscopy
Magnetism
NMR
NMR spectroscopy
Nuclear magnetic resonance
Spin Gap
Spin Liquid
Tetrahedra
Unit cell
Vanadium
Vanadium pentoxide
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Summary:A novel vanadium hydroxide‐phosphate, NH4VPO4OH, was synthesized hydrothermally in V2O5−NH4H2PO4‐citric acid system at 230 °C. It was characterized by XRD, TG‐DSC, SEM‐EDX, FTIR and NMR spectroscopy. NH4VPO4OH is isostructural with NH4GaPO4OH and features edge‐sharing chains of VO6 octahedra. These chains running along [010] direction of the unit cell are connected by phosphate tetrahedra to form infinite layers parallel to the (100) plane. Ammonium cations are embedded between the heteropolyhedral layers. According to the thermodynamic and NMR measurements supported by the first‐principles calculations, NH4VPO4OH presents a rare case of Haldane spin system with spin S=1 based on V3+ ions. A new compound, NH4VPO4OH, has been synthesized under mild hydrothermal condition. It possesses a lamellar crystal structure and shows a spin gap behavior inherent for the Haldane system. This rare ground state has been supported in the first‐principles calculations.
ISSN:0044-8249
1521-3757
DOI:10.1002/ange.202316719