Na3SO4H – The first representative of the material class of sulfate hydrides
| Autor: | Marko Bertmer, Nathalie Kunkel, Antti J. Karttunen, Guy M. Bernard, Alexander Mutschke, Clemens Ritter, Vladimir K. Michaelis |
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| Přispěvatelé: | University of Göttingen, University of Alberta, Leipzig University, Department of Chemistry and Materials Science, Institut Laue-Langevin, Aalto-yliopisto, Aalto University |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
chemistry.chemical_classification
Sulfide 010405 organic chemistry Chemistry Hydride Neutron diffraction hydrides Infrared spectroscopy General Chemistry Nuclear magnetic resonance spectroscopy 010402 general chemistry 01 natural sciences Catalysis 0104 chemical sciences ddc Tetragonal crystal system Crystallography chemistry.chemical_compound NMR spectroscopy density functional calculations Hydroxide Sulfate anions |
| Zdroj: | 'Angewandte Chemie International Edition ', vol: 21, pages: 5683-5687 (2021) |
| Popis: | The first representative of a novel class of mixed-anionic compounds, the sulfate hydride Na3SO4H, and the corresponding deuteride Na3SO4D were obtained from the solid-state reaction of NaH or NaD with dry Na2SO4. Precise reaction control is required, because too harsh conditions lead to the reduction of sulfate to sulfide. A combined X-ray and neutron diffraction study revealed that the compound crystallizes in the tetragonal space group P4/nmm with the lattice parameters a=7.0034(2) Å and c=4.8569(2) Å. The sole presence of hydride and absence of hydroxide ions is proven by vibrational spectroscopy and comparison with spectra predicted from quantum chemical calculations. 1H and 23Na MAS NMR spectra are consistent with the structure of Na3SO4H: a single 1H peak at 2.9 ppm is observed, while two peaks at 15.0 and 6.2 ppm for the inequivalent 23Na sites are observed. Elemental analysis and quantum chemical calculations further support these results. |
| Databáze: | OpenAIRE |
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