VSb(SeO3)(4), First Selenite Containing V3+ Cation: Synthesis, Structure, Characterization, Magnetic Properties, and Calculations
- Authors
- Shin, Yiseul; Lee, Dong Woo; Choi, Kwang Yong; Koo, Hyun-Joo; Ok, Kang Min
- Issue Date
- Dec-2013
- Publisher
- AMER CHEMICAL SOC
- Citation
- INORGANIC CHEMISTRY, v.52, no.24, pp 14224 - 14230
- Pages
- 7
- Journal Title
- INORGANIC CHEMISTRY
- Volume
- 52
- Number
- 24
- Start Page
- 14224
- End Page
- 14230
- URI
- https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/14032
- DOI
- 10.1021/ic4021564
- ISSN
- 0020-1669
1520-510X
- Abstract
- A new vanadium antimony selenite, VSb(SeO3)(4), has been synthesized through a solid-state reaction by using V2O5, Sb2O3, and SeO2 as reagents. The crystal structure of VSb(SeO3)(4) has been solved and refined by single-crystal X-ray diffraction. Whereas the starting V5+ cation has been reduced to V3+, the Sb3+ cation has been oxidized to Sb5+ during the synthesis. VSb(SeO3)(4) has a three-dimensional framework structure consisting of V/SbO6 octahedra and SeO3 groups. The V3+ and Sb5+ cations are statistically disordered in the same site with 50% occupancy. The oxide ligands in SeO3 groups are shared by V/SbO6 octahedra, and the framework expands outward radially from the center. The effective magnetic moment is estimated to be mu(eff) = 2.57 mu(B) per V3+ from the magnetic property measurements. The g-factor is determined to be g = 1.9(4) from the electron paramagnetic resonance spectrum, which is typical for a d(2) ion. The spin-polarized DFT+U calculations with U = 4 and 5 eV exhibit the magnetic moments of 1.98 mu(B) and 2.01 mu(B), respectively, on V3+ ion. Infrared and UV-vis diffuse reflectance spectra, elemental analysis, X-ray photoelectron spectroscopy, thermal analysis, and electronic structure calculations are also reported.
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Collections - College of Natural Sciences > Department of Chemistry > 1. Journal Articles
- College of Natural Sciences > Department of Physics > 1. Journal Articles
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