LaMg2PdH7, a new complex metal hydride containing tetrahedral [PdH4]4- anions
LaMg2PdH7, a new complex metal hydride containing tetrahedral [PdH4]4- anions
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LaMg2PdH7，一种含有四面体 [PdH4]4- 阴离子的新型复合金属氢化物
DOI：
10.1016/j.jallcom.2006.11.209
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发表时间：
2007
影响因子：
6.2
通讯作者：
M. Chou
中科院分区：
文献类型：
--
作者：
K. Yvon;J. Rapin;N. Penin;Zhu Ma;M. Chou
金属间化合物LaMg 2 Pd在200°C和10巴下的氢化导致组成为LaMg 2 PdH 7的复合金属氢化物。它的结构具有正交对称性，并显示四面体[PdH 4]4−阴离子。在氘化物上测得的Pd-H键长为1.71 - 1.78 π，H-Pd-H键角为95°-122°。另外三个氢负离子H−占据了具有四面体金属构型的La 2 Mg 2型间隙。能带结构计算表明该氢化物是非金属的，带隙为1.0eV。该化合物在125°C下解吸氢，产生超过1巴绝对压力的压力。
Hydrogenation of the intermetallic compound LaMg2Pd at 200°C and 10bar leads to a complex metal hydride of composition LaMg2PdH7. Its structure has orthorhombic symmetry and displays tetrahedral [PdH4]4−anions. The Pd–H bond distances as measured on the deuteride range from 1.71 to 1.78Å and the H–Pd–H bond angles from 95° to 122°. Three additional hydride anions H−occupy La2Mg2-type interstices having tetrahedral metal configurations. Band structure calculations suggest the hydride to be non-metallic and to have a band gap of ∼1.0eV. The compound desorbs hydrogen at 125°C yielding a pressure of more than 1bar absolute.