Evidence of Intermediate Hydrogen States in the Formation of a Complex Hydride

Toyoto Sato, Anibal J. Ramirez-Cuesta, Luke L. Daemen, Yongqiang Cheng, Shin Ichi Orimo

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9 Citations (Scopus)


A complex hydride (LaMg2NiH7) composed of La3+, two Mg2+, [NiH4]4- with a covalently bonded hydrogen, and three H- was formed from an intermetallic LaMg2Ni via an intermediate phase (LaMg2NiH4.6) composed of La, Mg, NiH2, NiH3 units, and H atoms at tetrahedral sites. The NiH2 and NiH3 units in LaMg2NiH4.6 were reported as precursors for [NiH4]4- in LaMg2NiH7 [ Miwa et al. J. Phys. Chem. C 2016, 120, 5926-5931 ]. To further understand the hydrogen states in the precursors (the NiH2 and NiH3 units) and H atoms at the tetrahedral sites in the intermediate phase, LaMg2NiH4.6, we observed the hydrogen vibrations in LaMg2NiH4.6 and LaMg2NiH7 by using inelastic neutron scattering. A comparison of the hydrogen vibrations of the NiH2 and NiH3 units with that of [NiH4]4- shows that the librational modes of the NiH2 and NiH3 units were nonexistent; librational modes are characteristic modes for complex anions, such as [NiH4]4-. Furthermore, the hydrogen vibrations for the H atoms in the tetrahedral sites showed a narrower wavenumber range than that for H- and a wider range than that for typical interstitial hydrogen. The results indicated the presence of intermediate hydrogen states before the formation of [NiH4]4- and H-.

Original languageEnglish
Pages (from-to)867-872
Number of pages6
JournalInorganic Chemistry
Issue number2
Publication statusPublished - 2018 Jan 16
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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