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Role of the Li+ node in the Li-BH 4 substructure of double-cation tetrahydroborates

Smrčok, Ľubomír
Published in Acta crystallographica. Section B, Structural science. 2014, vol. 70, no. 5, p. 871-878
Abstract The phase diagram LiBH4-ABH4 (A = Rb,Cs) has been screened and revealed ten new compounds LiiAj(BH4)i+j (A = Rb, Cs), with i, j ranging between 1 and 3, representing eight new structure types amongst homoleptic borohydrides. An approach based on synchrotron X-ray powder diffraction to solve crystal structures and solid-state first principles calculations to refine atomic positions allows characterizing multi-phase ball-milled samples. The Li-BH4 substructure adopts various topologies as a function of the compound's Li content, ranging from one-dimensional isolated chains to three-dimensional networks. It is revealed that the Li+ ion has potential as a surprisingly versatile cation participating in framework building with the tetrahydroborate anion BH4 as a linker, if the framework is stabilized by large electropositive counter-cations. This utility can be of interest when designing novel hydridic frameworks based on alkaline metals and will be of use when exploring the structural and coordination chemistry of light-metal systems otherwise subject to eutectic melting.
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Research group Groupe Cerny
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SCHOUWINK, Pascal, SMRČOK, Ľubomír, CERNY, Radovan. Role of the Li+ node in the Li-BH 4 substructure of double-cation tetrahydroborates. In: Acta crystallographica. Section B, Structural science, 2014, vol. 70, n° 5, p. 871-878. doi: 10.1107/S2052520614017351 https://archive-ouverte.unige.ch/unige:41308

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Deposited on : 2014-10-29

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