Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release

Zn(BH4)2.2NH3, a new ammine metal borohydride, has been synthesized via simply ball-milling a mixture of ZnCl2.2NH3/2LiBH4. Structure analysis shows that the subsequent complex has a monoclinic structure with unit-cell parameters of a = 6.392(4) A, b = 8.417(6) A, c = 6.388(4) A and β = 92.407(4)° a...

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Main Authors:	Gu, Q., Gao, L., Guo, Y., Tan, Y., Tang, Z., Wallwork, K., Zhang, Feiwu, Yu, X.
Format:	Journal Article
Published:	Royal Society of Chemistry 2012
Online Access:	http://hdl.handle.net/20.500.11937/43259

id	curtin-20.500.11937-43259
recordtype	eprints
spelling	curtin-20.500.11937-432592017-09-13T15:51:04Z Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release Gu, Q. Gao, L. Guo, Y. Tan, Y. Tang, Z. Wallwork, K. Zhang, Feiwu Yu, X. Zn(BH4)2.2NH3, a new ammine metal borohydride, has been synthesized via simply ball-milling a mixture of ZnCl2.2NH3/2LiBH4. Structure analysis shows that the subsequent complex has a monoclinic structure with unit-cell parameters of a = 6.392(4) A, b = 8.417(6) A, c = 6.388(4) A and β = 92.407(4)° and space group P21, in which Zn atoms coordinate with two BH4 groups and two NH3 groups. The interatomic distances reported herein show that Zn–H bonding in Zn(BH4)2.2NH3 is shorter than Ca–H bonds in Ca(BH4)2.2NH3 and Mg–H in Mg(BH4)2.2NH3. This reduced bond contact leads to an increase in the ionic character of H. This study is able to show a good correlation between the reduced M–H distance and enhanced dehydrogenation behavior of the hydride material. Dehydrogenation results showed that Zn(BH4)2.2NH3/LiCl is able to release 5.36 wt% hydrogen (corresponding to 8.9 wt% for pure Zn(BH4)2.2NH3) below 115°C within 15 min without concomitant release of undesirable gases such as ammonia and/or boranes, thereby demonstrating the potential of Zn(BH4)2.2NH3 to be used as a solid hydrogen storage material. 2012 Journal Article http://hdl.handle.net/20.500.11937/43259 10.1039/C2EE02485C Royal Society of Chemistry fulltext
repository_type	Digital Repository
institution_category	Local University
institution	Curtin University Malaysia
building	Curtin Institutional Repository
collection	Online Access
description	Zn(BH4)2.2NH3, a new ammine metal borohydride, has been synthesized via simply ball-milling a mixture of ZnCl2.2NH3/2LiBH4. Structure analysis shows that the subsequent complex has a monoclinic structure with unit-cell parameters of a = 6.392(4) A, b = 8.417(6) A, c = 6.388(4) A and β = 92.407(4)° and space group P21, in which Zn atoms coordinate with two BH4 groups and two NH3 groups. The interatomic distances reported herein show that Zn–H bonding in Zn(BH4)2.2NH3 is shorter than Ca–H bonds in Ca(BH4)2.2NH3 and Mg–H in Mg(BH4)2.2NH3. This reduced bond contact leads to an increase in the ionic character of H. This study is able to show a good correlation between the reduced M–H distance and enhanced dehydrogenation behavior of the hydride material. Dehydrogenation results showed that Zn(BH4)2.2NH3/LiCl is able to release 5.36 wt% hydrogen (corresponding to 8.9 wt% for pure Zn(BH4)2.2NH3) below 115°C within 15 min without concomitant release of undesirable gases such as ammonia and/or boranes, thereby demonstrating the potential of Zn(BH4)2.2NH3 to be used as a solid hydrogen storage material.
format	Journal Article
author	Gu, Q. Gao, L. Guo, Y. Tan, Y. Tang, Z. Wallwork, K. Zhang, Feiwu Yu, X.
spellingShingle	Gu, Q. Gao, L. Guo, Y. Tan, Y. Tang, Z. Wallwork, K. Zhang, Feiwu Yu, X. Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
author_facet	Gu, Q. Gao, L. Guo, Y. Tan, Y. Tang, Z. Wallwork, K. Zhang, Feiwu Yu, X.
author_sort	Gu, Q.
title	Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
title_short	Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
title_full	Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
title_fullStr	Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
title_full_unstemmed	Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
title_sort	structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release
publisher	Royal Society of Chemistry
publishDate	2012
url	http://hdl.handle.net/20.500.11937/43259
first_indexed	2018-09-06T23:27:34Z
last_indexed	2018-09-06T23:27:34Z
_version_	1610902619486683136

Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release

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