Unusual sevenfold coordination of Ru in complex hydride Na 3RuH7: Prospect for formation of [FeH7] 3- anion

Shigeyuki Takagi, Tamio Ikeshoji, Motoaki Matsuo, Toyoto Sato, Hiroyuki Saitoh, Katsutoshi Aoki, Shin Ichi Orimo

研究成果: Article査読

8 被引用数 (Scopus)

抄録

We used density-functional calculations to clarify the origin of the unusual sevenfold coordination of Ru by H in Na3RuH7. We found that the D5h symmetry of the ligands enables the formation of strong covalent bonds of Ru and H through ligand-field effects, stabilizing the sevenfold coordination. We also examined the possible synthesis of the hypothetical 3d analog, Li3FeH7, which has a gravimetric hydrogen density of 8.4 mass%. The calculated enthalpy change of -16 kJ/mol H2 for the reaction, 3 LiH + Fe + 2 H2 → Li3 FeH7, reveals a possible route to a stable complex hydride containing [FeH7]3-.

本文言語English
論文番号113903
ジャーナルApplied Physics Letters
103
11
DOI
出版ステータスPublished - 2013 9 9
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(その他)

フィンガープリント

「Unusual sevenfold coordination of Ru in complex hydride Na <sub>3</sub>RuH<sub>7</sub>: Prospect for formation of [FeH<sub>7</sub>] <sup>3-</sup> anion」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル