ISIS Neutron and Muon Source Data Journal

An in-situ neutron diffraction study of the formation and dehydrogenation of the new hydrogen store, zinc borohydride hydrazinate

Abstract: We have prepared the transition metal borohydride hydrazinates (ZBH) for the first time. Zn(BH4)2-2N2H4 exhibits pure hydrogen evolution below 200 °C as determined by thermogravimetric-differential thermal analysis (TG-DTA) coupled with mass spectroscopy (MS). We now wish to investigate the mechanisms of ZBH formation and dehydrogenation via in-situ powder neutron diffraction (PND) technique. By employing in-situ neutron diffraction technique we will be able to determine the structures of intermediates regarding ZBH formation and dehydrogenation process. Moreover, PND can help to elucidate the coordination chemistry of N2H4 (N2D4) and [BH4]- ([BD4]-) moieties relative to the metal center in the intermediate phases and be crucial to verify the [BD4]- and possibly N2D4 dynamic disorder by precisely locating the positions of H (D), Li, 11B, and N which are not reasonably diffracted by XRD.

Principal Investigator: Professor Duncan Gregory
Experimenter: Mr Zhe Liu
Local Contact: Professor David Keen
Experimenter: Ms Lin Sun
Experimenter: Dr Arpita Jana

DOI: 10.5286/ISIS.E.RB1710150

ISIS Experiment Number: RB1710150

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Duncan Gregory et al; (2019): An in-situ neutron diffraction study of the formation and dehydrogenation of the new hydrogen store, zinc borohydride hydrazinate, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1710150

Data is released under the CC-BY-4.0 license.