A New Complex Borohydride LiAl(BH4)2Cl2

Dolotko, Oleksandr; Kobayashi, Takeshi; Hlova, Ihor Z.; Gupta, Shalabh; Pecharsky, Vitalij K.

doi:10.3390/inorganics9050035

Title: A New Complex Borohydride LiAl(BH₄)₂Cl₂

Journal Article · Tue May 04 00:00:00 EDT 2021 · Inorganics

DOI:https://doi.org/10.3390/inorganics9050035· OSTI ID:1783229

^[1];

^[1]; Hlova, Ihor Z. ^[1]; Gupta, Shalabh ^[1]; Pecharsky, Vitalij K. ^[2]

Ames Lab., and Iowa State Univ., Ames, IA (United States)
Idaho State Univ., Pocatello, ID (United States). Dept. of Materials Science and Engineering

A new mixed alkali metal–aluminum borohydride LiAl(BH₄)₂Cl₂ has been prepared via mechanochemical synthesis from the 2LiBH₄–AlCl₃ mixture. Structural characterization, performed using a combination of X-ray powder diffraction and solid-state NMR methods, indicates that the LiAl(BH₄)₂Cl₂ phase adopts a unique 3D framework and crystallizes in an orthorhombic structure with the space group C2221, a = 11.6709(6) Å, b = 8.4718(4) Å, c = 7.5114(3) Å. The material shows excellent dehydrogenation characteristics, where hydrogen evolution starts at Tons = 70 °C, releasing approximately 2 wt.% of nearly pure (99.8 vol.%) hydrogen and a very small amount (~0.2 vol.%) of diborane. When compared to halide-free mixed alkali metal–aluminum borohydrides, the presence of Al-Cl bonding in the LiAl(BH₄)₂Cl₂ structure likely prevents the formation of Al(BH₄)₃ upon decomposition, thus suppressing the formation of diborane.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Fuel Cell Technologies Office

Grant/Contract Number:: AC02-07CH11358; EE0007047

OSTI ID:: 1783229

Report Number(s):: IS-J-10,474

Journal Information:: Inorganics, Vol. 9, Issue 5; ISSN 2304-6740

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
hydrides
X-ray diffraction
crystal structure
solid-state NMR
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Title: A New Complex Borohydride LiAl(BH4)2Cl2

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Title: A New Complex Borohydride LiAl(BH₄)₂Cl₂