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Vibrational spectra and structure of borohydrides

Published in Journal of Alloys and Compounds. 2013, vol. 580, p. S122-S124
Abstract A comparison of the vibrational spectra of many inorganic borohydrides allows us to distinguish compounds with isolated BH4- ions and compounds containing complex ions such as Sc(BH4)4-. The characteristic spectral features of both types of compounds are identified, showing that the B–H bonding is quite different in both cases. A detailed analysis of the vibrations of the isolated BH4- ions provides new information about their local structure. Angular deformations of individual borohydride ion are analyzed quantitatively. It appears that the compounds containing isolated BH4- ions belong to those with the most electropositive cations and the highest decomposition temperature, while the complex borohydrides show significantly lower decomposition temperatures and possible diborane formation.
Keywords Hydrogen storageVibrational spectraBorohydridesFG method
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Research groups Groupe Hagemann
Groupe Hauser
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D'ANNA, Vincenza, LAWSON DAKU, Latevi Max, HAGEMANN, Hans-Rudolf. Vibrational spectra and structure of borohydrides. In: Journal of Alloys and Compounds, 2013, vol. 580, p. S122-S124. doi: 10.1016/j.jallcom.2013.01.112 https://archive-ouverte.unige.ch/unige:30761

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Deposited on : 2013-10-28

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