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Structure and properties of NaBH4·2H2O and NaBH4

Published in European Journal of Inorganic Chemistry. 2008, vol. 112, no. 20, p. 3127-3133
Abstract NaBH4·2H2O and NaBH4 were studied by single-crystal X-ray diffraction and vibrational spectroscopy. In NaBH4·2H2O, the BH4- anion has a nearly ideal tetrahedral geometry and is bridged with two Na+ ions through the tetrahedral edges. The structure does not contain classical hydrogen bonds, but reveals strong dihydrogen bonds of 1.77-1.95 Å. Crystal structures and vibrational spectra of NaBr·2H2O and NaBH4·2H2O reveal many similarities. The unit cell volume of NaBH4·2H2O increases linearly with temperature between 200 and 313 K. At 313-315 K, the hydrate decomposes into NaBH4 and H2O, which react to release hydrogen.
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Research group Groupe Hagemann
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FILINCHUK, Yaroslav, HAGEMANN, Hans-Rudolf. Structure and properties of NaBH4·2H2O and NaBH4. In: European Journal of Inorganic Chemistry, 2008, vol. 112, n° 20, p. 3127-3133. doi: 10.1002/ejic.200800053 https://archive-ouverte.unige.ch/unige:3570

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Deposited on : 2009-10-02

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