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Estimation of Electronegativity Values of Elements in Different Valence States
Abstract
The electronegativities of 82 elements in different valence states and with the most common coordination numbers have been quantitatively calculated on the basis of an effective ionic potential defined by the ionization energy and ionic radius. It is found that for a given cation, the electronegativity increases with increasing oxidation state and decreases with increasing coordination number. For the transition-metal cations, the electronegativity of the low-spin state is higher than that of the high-spin state. The ligand field stabilization, the first filling of p orbitals, the transition-metal contraction, and especially the lanthanide contraction are well-reflected by the relative values of our proposed electronegativity. This new scale is useful for us to estimate some quantities (e.g., the Lewis acid strength for the main group elements and the hydration free energy for the first transition series) and predict the structure and property of materials.
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Cites
Shannon, R. D. (1976) · Acta Crystallographica Section A · doi:10.1107/s0567739476001551 · Cited by 66,145
Cited by
Yan, Q., Lian, C., Huang, K., Liang, L., Yu, H., Yin, P., Zhang, J., & Xing, M. (2021) · Angewandte Chemie International Edition · doi:10.1002/anie.202105736 · Cited by 508
Kuznetsov, D. A., Han, B., Yu, Y., Rao, R. R., Hwang, J., Román-Leshkov, Y., & Shao-Horn, Y. (2018) · Joule · doi:10.1016/j.joule.2017.11.014 · Cited by 452
Greiner, M. T., & Lu, Z.-H. (2013) · NPG Asia Materials · doi:10.1038/am.2013.29 · Cited by 444
Tailoring Lattice Oxygen Binding in Ruthenium Pyrochlores to Enhance Oxygen Evolution Activity
Kuznetsov, D. A., Naeem, M. A., Kumar, P. V., Abdala, P. M., Fedorov, A., & Müller, C. R. (2020) · Journal of the American Chemical Society · doi:10.1021/jacs.0c01135 · Cited by 365
Guan, D., Zhou, J., Huang, Y.-C., Dong, C.-L., Wang, J.-Q., Zhou, W., & Shao, Z. (2019) · Nature Communications · doi:10.1038/s41467-019-11847-w · Cited by 206
Metadata
- Authors
- Li, K., & Xue, D.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2006-09-14
- Volume
- 110
- Issue
- 39
- Pages
- 11332-11337
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2027329930
- Cited by
- 865
- References
- 1
- FWCI
- 6.53
- Type
- journal article
- Language
- en
- Open access
- closed
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