MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
ISSN-L : 1345-9678
Infrared Spectroscopic and Computational Studies on Li4FeH6 with High Gravimetric Hydrogen Density
Takahiro OgataToyoto SatoShigeyuki TakagiHiroyuki SaitohYuki IijimaBiswajit PaikShin-ichi Orimo
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2017 Volume 58 Issue 2 Pages 157-159

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Abstract

We report the vibrational properties of Li4FeH6 with the highest gravimetric hydrogen density in Fe-based complex hydrides. The Fourier transform infrared (FTIR) spectrum shows a broad and weak peak at 600–1000 cm−1 and an intense one at 1400–1800 cm−1, which are assigned with the aid of first-principles calculations to be the H–Fe–H bending modes, and the antisymmetric Fe–H stretching modes, respectively. From the obtained peak frequency of asymmetric stretching modes of Li4FeH6, the Fe–H bond length is estimated to be 1.6 Å, which is in good agreement with the one predicted by first-principles calculations.

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© 2017 The Japan Institute of Metals and Materials
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