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Issue 17, 2011
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Na[Li(NH2BH3)2] – the first mixed-cation amidoborane with unusual crystal structure

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Abstract

We describe the successful synthesis of the first mixed-cation (pseudoternary) amidoborane, Na[Li(NH2BH3)2], with theoretical hydrogen capacity of 11.1 wt%. Na[Li(NH2BH3)2] crystallizes triclinic (P[1 with combining macron]) with a = 5.0197(4) Å, b = 7.1203(7) Å, c = 8.9198(9) Å, α = 103.003(6)°, β = 102.200(5)°, γ = 103.575(5)°, and V = 289.98(5) Å3 (Z = 2), as additionally confirmed by Density Functional Theory calculations. Its crystal structure is topologically different from those of its orthorhombic LiNH2BH3 and NaNH2BH3 constituents, with distinctly different coordination spheres of Li (3 N atoms and 1 hydride anion) and Na (6 hydride anions). Na[Li(NH2BH3)2], which may be viewed as a product of a Lewis acid (LiNH2BH3)/Lewis base (NaNH2BH3) reaction, is an important candidate for a novel lightweight hydrogen storage material. The title material decomposes at low temperature (with onset at 75 °C, 6.0% mass loss up to 110 °C, and an additional 3.0% up to 200 °C) while evolving hydrogen contaminated with ammonia.

Graphical abstract: Na[Li(NH2BH3)2] – the first mixed-cation amidoborane with unusual crystal structure

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Publication details

The article was received on 29 Oct 2010, accepted on 10 Jan 2011 and first published on 15 Mar 2011


Article type: Paper
DOI: 10.1039/C0DT01491E
Citation: Dalton Trans., 2011,40, 4407-4413
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    Na[Li(NH2BH3)2] – the first mixed-cation amidoborane with unusual crystal structure

    K. J. Fijalkowski, R. V. Genova, Y. Filinchuk, A. Budzianowski, M. Derzsi, T. Jaroń, P. J. Leszczyński and W. Grochala, Dalton Trans., 2011, 40, 4407
    DOI: 10.1039/C0DT01491E

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