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LiSc(BH4)4: A Novel Salt of Li+ and Discrete Sc(BH4)4− Complex Anions
Open accessAbstract
LiSc(BH4)4 has been prepared by ball milling of LiBH4 and ScCl3. Vibrational spectroscopy indicates the presence of discrete Sc(BH4)4(-) ions. DFT calculations of this isolated complex ion confirm that it is a stable complex, and the calculated vibrational spectra agree well with the experimental ones. The four BH4(-) groups are oriented with a tilted plane of three hydrogen atoms directed to the central Sc ion, resulting in a global 8 + 4 coordination. The crystal structure obtained by high-resolution synchrotron powder diffraction reveals a tetragonal unit cell with a = 6.076 A and c = 12.034 A (space group P-42c). The local structure of the Sc(BH4)4(-) complex is refined as a distorted form of the theoretical structure. The Li ions are found to be disordered along the z axis.
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te Velde, G., Bickelhaupt, F. M., Baerends, E. J., Fonseca Guerra, C., van Gisbergen, S. J. A., Snijders, J. G., & Ziegler, T. (2001) · Journal of Computational Chemistry · doi:10.1002/jcc.1056 · Cited by 10,152
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Mohtadi, R., & Orimo, S.-I. (2016) · Nature Reviews Materials · doi:10.1038/natrevmats.2016.91 · Cited by 508
Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art
Lai, Q., Paskevicius, M., Sheppard, D. A., Buckley, C. E., Thornton, A. W., Hill, M. R., Gu, Q., Mao, J., Huang, Z., Liu, H. K., et al. (2015) · ChemSusChem · doi:10.1002/cssc.201500231 · Cited by 414
Mechanochemical synthesis of hydrogen storage materials
Huot, J., Ravnsbæk, D. B., Zhang, J., Cuevas, F., Latroche, M., & Jensen, T. R. (2013) · Progress in Materials Science · doi:10.1016/j.pmatsci.2012.07.001 · Cited by 406
Metal borohydrides and derivatives – synthesis, structure and properties
Paskevicius, M., Jepsen, L. H., Schouwink, P., Černý, R., Ravnsbæk, D. B., Filinchuk, Y., Dornheim, M., Besenbacher, F., & Jensen, T. R. (2017) · Chemical Society Reviews · doi:10.1039/c6cs00705h · Cited by 406
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Metadata
- Authors
- Hagemann, H., Longhini, M., Kaminski, J. W., Wesolowski, T. A., Černý, R., Penin, N., Sørby, M. H., Hauback, B. C., Severa, G., & Jensen, C. M.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-07-30
- Volume
- 112
- Issue
- 33
- Pages
- 7551-7555
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2130942021
- Cited by
- 161
- References
- 1
- FWCI
- 8.93
- Type
- journal article
- Language
- en
- Open access
- green
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