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| Home > Publications database > Synthesis of Na$_3$WH$_9$ and Na$_3$ReH$_8$ Ternary Hydrides at High Pressures |
| Journal Article | PUBDB-2025-01313 |
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2024
American Chemical Society
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acs.inorgchem.4c02691 doi:10.3204/PUBDB-2025-01313
Abstract: The Na–W–H and Na–Re–H ternary systems were studied in a diamond anvil cell through X-ray diffraction and Raman spectroscopy, supported by density functional theory and molecular dynamics calculations. Na$_3$WH$_9$ can be synthesized above 7.8 GPa and 1400 K, remaining stable between at least 0.1 and 42.1 GPa. The rhenium analogue Na$_3$ReH$_8$ can form at 10.1 GPa upon laser heating, being stable between at least 0.3 and 32.5 GPa. Na$_3$WH$_9$ and Na$_3$ReH$_8$ host [WH$_9$]$^{3–}$ and [ReH$_8$]$^{3–}$ anions, respectively, forming homoleptic 18-electron complexes in both cases. Both ternary hydrides show similar structural types and pressure dependent phase transitions. At the highest pressures they adopt a distorted fcc Heusler structure (Na$_3$WH$_9$II′ and Na$_3$ReH$_8$–II′) while upon decompression the structure symmetrizes becoming fcc between ∼6.4 and 10 GPa for Na$_3$WH$_9$–II and at 17 GPa for Na$_3$ReH$_8$–II. On further pressure release, the fcc phases transform into variants of a (quasi-) hexagonal structure at ∼3 GPa, Na$_3$WH$_9$–I and Na$_3$ReH$_8$–I.
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