Structural and spectroscopic studies on the alkali borohydrides MBH4 (M=Na,K,Rb,Cs)

Renaudin, Guillaume; Gomes, Sandrine; Hagemann, Hans-Rudolf; Keller, L.; Yvon, Klaus

doi:10.1016/j.jallcom.2003.11.018

Scientific article

English

Structural and spectroscopic studies on the alkali borohydrides MBH4 (M=Na,K,Rb,Cs)

Contributors

Renaudin, Guillaume; Gomes, Sandrine; Hagemann, Hans-Rudolf; Keller, L.; Yvon, Klaus

Published in

Journal of alloys and compounds, vol. 375, no. 1-2, p. 98-106

Publication date

2004

Abstract

Alkali borohydrides MBH[4] and their deuterides have been investigated by X-ray and neutron powder diffraction (M=K,Rb,Cs) and by infrared and Raman spectroscopy (M=Na,K,Rb,Cs). At room temperature the compounds crystallize with a cubic high temperature (HT) structure having FM[3]M symmetry in which the [BH4][−] complexes are disordered. At low temperature (LT) the potassium compound transforms into a tetragonal low temperature structure having P4[2]/n mc symmetry in which the [BH4][−] complexes are ordered such as in the isotypic sodium congener. The B---H distances within the complex as measured on the deuteride at 1.5 K are 1.205(3) Å. Indications for a partial ordering in the rubidium and cesium compounds exist but are not sufficient for a full structural characterization. Infrared and Raman spectra at room temperature are fully assigned for both hydrides and deuterides, including the overtones and combination bands, the Fermi resonance type interactions and the [10]B to [11]B splitting due to the presence of natural boron in the samples.

Keywords

Hydrogen storage materials
Crystal structure
X-ray and neutron diffraction
Infrared and Raman spectroscopy

UNIGE affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

UNIGE research groups

Groupe Hagemann

Citation (ISO format)

RENAUDIN, Guillaume et al. Structural and spectroscopic studies on the alkali borohydrides MBH4 (M=Na,K,Rb,Cs). In: Journal of alloys and compounds, 2004, vol. 375, n° 1-2, p. 98–106. doi: 10.1016/j.jallcom.2003.11.018

Article (Published version)

Identifiers

PID : unige:3713
DOI : 10.1016/j.jallcom.2003.11.018

Additional URL for this publication

http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWY-4BK2JPB-1-2W&_cdi=5575&_orig=browse&_coverDate=07%2F28%2F2004&_sk=996249998&view=c&wchp=dGLbVzb-zSkzS&_acct=C000043220&_version=1&_userid=779890&md5=e3100497a1ce4dd4bc18fe48978656e6&ie=f.pdf

Journal ISSN

0925-8388

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Creation

06/10/2009 11:58:57

First validation

06/10/2009 11:58:57

Update

14/03/2023 15:16:05

Status update

14/03/2023 15:16:05

Last indexation

29/10/2024 12:24:53

Structural and spectroscopic studies on the alkali borohydrides MBH4 (M=Na,K,Rb,Cs)

Contributors

Published in

Publication date

Abstract

Keywords

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

Main files (1)

Identifiers

Additional URL for this publication

Journal ISSN

Technical informations

Creation

First validation

Update

Status update

Last indexation