High pressure study of sodium trihydride
The reactivity between NaH and H2 has been investigated through a series of high-temperature experiments up to pressures of 78 GPa in diamond anvil cells combined with first principles calculations. Powder X-ray diffraction measurements show that heating NaH in an excess of H2 to temperatures around...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2024-01-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2023.1306495/full |
| _version_ | 1827386863578513408 |
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| author | Tomas Marqueño Mikhail A. Kuzovnikov Israel Osmond Phillip Dalladay-Simpson Andreas Hermann Ross T. Howie Ross T. Howie Miriam Peña-Alvarez |
| author_facet | Tomas Marqueño Mikhail A. Kuzovnikov Israel Osmond Phillip Dalladay-Simpson Andreas Hermann Ross T. Howie Ross T. Howie Miriam Peña-Alvarez |
| author_sort | Tomas Marqueño |
| collection | DOAJ |
| description | The reactivity between NaH and H2 has been investigated through a series of high-temperature experiments up to pressures of 78 GPa in diamond anvil cells combined with first principles calculations. Powder X-ray diffraction measurements show that heating NaH in an excess of H2 to temperatures around 2000 K above 27 GPa yields sodium trihydride (NaH3), which adopts an orthorhombic structure (space group Cmcm). Raman spectroscopy measurements indicate that NaH3 hosts quasi-molecular hydrogen (H2δ−) within a NaH lattice, with the H2δ− stretching mode downshifted compared to pure H2 (Δν ∼−120 cm−1 at 50 GPa). NaH3 is stable under room temperature compression to at least 78 GPa, and exhibits remarkable P-T stability, decomposing at pressures below 18 GPa. Contrary to previous experimental and theoretical studies, heating NaH (or NaH3) in excess H2 between 27 and 75 GPa does not promote further hydrogenation to form sodium polyhydrides other than NaH3. |
| first_indexed | 2024-03-08T15:51:47Z |
| format | Article |
| id | doaj.art-831fa4f2d0d3444eb7e028544991fe77 |
| institution | Directory Open Access Journal |
| issn | 2296-2646 |
| language | English |
| last_indexed | 2024-03-08T15:51:47Z |
| publishDate | 2024-01-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj.art-831fa4f2d0d3444eb7e028544991fe772024-01-09T04:34:51ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462024-01-011110.3389/fchem.2023.13064951306495High pressure study of sodium trihydrideTomas Marqueño0Mikhail A. Kuzovnikov1Israel Osmond2Phillip Dalladay-Simpson3Andreas Hermann4Ross T. Howie5Ross T. Howie6Miriam Peña-Alvarez7Centre for Science at Extreme Conditions (CSEC), The School of Physics and Astronomy, The University of Edinburgh, Edinburgh, United KingdomCentre for Science at Extreme Conditions (CSEC), The School of Physics and Astronomy, The University of Edinburgh, Edinburgh, United KingdomCentre for Science at Extreme Conditions (CSEC), The School of Physics and Astronomy, The University of Edinburgh, Edinburgh, United KingdomCenter for High Pressure Science and Technology Advanced Research, Shanghai, ChinaCentre for Science at Extreme Conditions (CSEC), The School of Physics and Astronomy, The University of Edinburgh, Edinburgh, United KingdomCentre for Science at Extreme Conditions (CSEC), The School of Physics and Astronomy, The University of Edinburgh, Edinburgh, United KingdomCenter for High Pressure Science and Technology Advanced Research, Shanghai, ChinaCentre for Science at Extreme Conditions (CSEC), The School of Physics and Astronomy, The University of Edinburgh, Edinburgh, United KingdomThe reactivity between NaH and H2 has been investigated through a series of high-temperature experiments up to pressures of 78 GPa in diamond anvil cells combined with first principles calculations. Powder X-ray diffraction measurements show that heating NaH in an excess of H2 to temperatures around 2000 K above 27 GPa yields sodium trihydride (NaH3), which adopts an orthorhombic structure (space group Cmcm). Raman spectroscopy measurements indicate that NaH3 hosts quasi-molecular hydrogen (H2δ−) within a NaH lattice, with the H2δ− stretching mode downshifted compared to pure H2 (Δν ∼−120 cm−1 at 50 GPa). NaH3 is stable under room temperature compression to at least 78 GPa, and exhibits remarkable P-T stability, decomposing at pressures below 18 GPa. Contrary to previous experimental and theoretical studies, heating NaH (or NaH3) in excess H2 between 27 and 75 GPa does not promote further hydrogenation to form sodium polyhydrides other than NaH3.https://www.frontiersin.org/articles/10.3389/fchem.2023.1306495/fullhydridessodiumhigh pressureX-ray diffractionRamandensity functional calculations |
| spellingShingle | Tomas Marqueño Mikhail A. Kuzovnikov Israel Osmond Phillip Dalladay-Simpson Andreas Hermann Ross T. Howie Ross T. Howie Miriam Peña-Alvarez High pressure study of sodium trihydride Frontiers in Chemistry hydrides sodium high pressure X-ray diffraction Raman density functional calculations |
| title | High pressure study of sodium trihydride |
| title_full | High pressure study of sodium trihydride |
| title_fullStr | High pressure study of sodium trihydride |
| title_full_unstemmed | High pressure study of sodium trihydride |
| title_short | High pressure study of sodium trihydride |
| title_sort | high pressure study of sodium trihydride |
| topic | hydrides sodium high pressure X-ray diffraction Raman density functional calculations |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2023.1306495/full |
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