%0 Journal Article
%A Marqueño, Tomas
%A Osmond, Israel
%A Kuzovnikov, Mikhail
%A Shuttleworth, Hannah
%A Gallego-Parra, Samuel
%A Gregoryanz, Eugene
%A Hermann, Andreas
%A Howie, Ross
%A Peña-Alvarez, Miriam
%T Synthesis of Na<sub>3</sub>WH<sub>9</sub> and Na<sub>3</sub>ReH<sub>8</sub> Ternary Hydrides at High Pressures
%J Inorganic chemistry
%V 63
%N 45
%@ 0020-1669
%C Washington, DC
%I American Chemical Society
%M PUBDB-2025-01313
%P 21734 - 21741
%D 2024
%X 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<sub>3</sub>WH<sub>9</sub> 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<sub>3</sub>ReH<sub>8</sub> can form at 10.1 GPa upon laser heating, being stable between at least 0.3 and 32.5 GPa. Na<sub>3</sub>WH<sub>9</sub> and Na<sub>3</sub>ReH<sub>8</sub> host [WH<sub>9</sub>]<sup>3–</sup> and [ReH<sub>8</sub>]<sup>3–</sup> 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<sub>3</sub>WH<sub>9</sub>II′ and Na<sub>3</sub>ReH<sub>8</sub>–II′) while upon decompression the structure symmetrizes becoming fcc between ∼6.4 and 10 GPa for Na<sub>3</sub>WH<sub>9</sub>–II and at 17 GPa for Na<sub>3</sub>ReH<sub>8</sub>–II. On further pressure release, the fcc phases transform into variants of a (quasi-) hexagonal structure at ∼3 GPa, Na<sub>3</sub>WH<sub>9</sub>–I and Na<sub>3</sub>ReH<sub>8</sub>–I.
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:39480973
%U <Go to ISI:>//WOS:001345593900001
%R 10.1021/acs.inorgchem.4c02691
%U https://bib-pubdb1.desy.de/record/626122