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The Electronic Structure of the Vanadyl Ion
Abstract
The bonding in the molecule ion VO(H₂O)₆²⁺ is described in terms of molecular orbitals. In particular, the most significant feature of the electronic structure of VO²⁺ seems to be the existence of considerable oxygen to vanadium \nπ-bonding. A molecular orbital energy level scheme is estimated which is able to account for both the "crystal \nfield” and the "charge transfer” spectra of VO(H₂O)₆²⁺ and related vanadyl complexes. The paramagnetic resonance g factors and the magnetic susceptibilities of vanadyl complexes are discussed.
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Cited by
A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles
Suntivich, J., May, K. J., Gasteiger, H. A., Goodenough, J. B., & Shao-Horn, Y. (2011) · Science · doi:10.1126/science.1212858 · Cited by 5,441
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00470a · Cited by 5,388
Schöneboom, J. C., Neese, F., & Thiel, W. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0424732 · Cited by 260
Nandy, A., Zhu, J., Janet, J. P., Duan, C., Getman, R. B., & Kulik, H. J. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b02165 · Cited by 91
Metadata
- Authors
- Ballhausen, C. J., & Gray, H. B.
- Venue
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 1962-02
- Volume
- 1
- Issue
- 1
- Pages
- 111-122
- ISSN
- 0020-1669 (ISSN-L)
- 1520-510X
- OpenAlex
- W2018016840
- Cited by
- 1,468
- References
- 0
- FWCI
- 32.17
- Type
- journal article
- Language
- en
- Open access
- closed
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- Ballhausen, C. J., & Gray, H. B. (1962). The Electronic Structure of the Vanadyl Ion. Inorganic Chemistry. https://doi.org/10.1021/ic50001a022
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