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Issue 4, 2018
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Unraveling the mechanical behaviour of hydrazine borane (NH2–NH2–BH3)

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Crystalline B–N–H compounds of low molecular weight have been intensively investigated over the past two decades owing to their promises for chemical hydrogen storage. Hydrazine borane NH2–NH2–BH3 is one of the most recent examples of this family of materials. In the present work, we explored its structural behaviour under mechanical stimulus by synchrotron high pressure X-ray diffraction. It has been evidenced that hydrazine borane shows a gradual pressure-induced decrease of its unit cell dimension and the process is reversible when the applied pressure is released. The compressibility of this material was established to be relatively low (high bulk modulus) and highly anisotropic. As revealed by molecular simulations based on Density Functional Theory calculations, the mechanical behaviour of NH2–NH2–BH3 was correlated to the pressure-induced changes of its crystal structure in terms of intra- and intermolecular bond lengths and angles parameters.

Graphical abstract: Unraveling the mechanical behaviour of hydrazine borane (NH2–NH2–BH3)

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The article was received on 11 Dec 2017, accepted on 05 Jan 2018 and first published on 05 Jan 2018

Article type: Paper
DOI: 10.1039/C7CP08291F
Citation: Phys. Chem. Chem. Phys., 2018,20, 2845-2850
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    Unraveling the mechanical behaviour of hydrazine borane (NH2–NH2–BH3)

    P. G. Yot, V. Yadav, S. Ould Amara, J. Itiè, U. B. Demirci and G. Maurin, Phys. Chem. Chem. Phys., 2018, 20, 2845
    DOI: 10.1039/C7CP08291F

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