Unraveling The Mechanical Behaviour Of Hydrazine Borane (NH2 ...

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Physical Chemistry Chemical Physics

Unraveling the mechanical behaviour of hydrazine borane (NH2–NH2–BH3)†

Pascal G. Yot, *a Vibhav Yadav, a Salem Ould Amara,b Jean-Paul Itiè,c Umit B. Demirci b and Guillaume Maurin a Author affiliations

* Corresponding authors

a Institut Charles Gerhardt Montpellier (ICGM), UMR 5253, Univ Montpellier CNRS, ENSCM, CC 15005, Université de Montpellier, Place Eugène Bataillon, F-34095 Montpellier cedex 05, France E-mail: pascal.yot@umontpellier.fr Fax: +33 4 67 14 42 90 Tel: +33 4 67 14 32 94

b Institut Européen des Membranes (IEM), UMR 5635, Univ Montpellier CNRS, ENSCM, CC 047, Université de Montpellier, Place Eugène Bataillon, F-34095 Montpellier cedex 05, France

c Synchrotron Soleil, L'orme des Merisiers, Saint-Aubin – BP 48, F-91192 Gif-sur-Yvette cedex, France

Abstract

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.

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Article information

DOI https://doi.org/10.1039/C7CP08291F Article type Paper Submitted 11 Dec 2017 Accepted 05 Jan 2018 First published 05 Jan 2018

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Phys. Chem. Chem. Phys., 2018,20, 2845-2850 BibTex EndNote MEDLINE ProCite ReferenceManager RefWorks RIS

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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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Pascal G. Yot Vibhav Yadav Salem Ould Amara Jean-Paul Itiè Umit B. Demirci Guillaume Maurin

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