2021
DOI: 10.1002/ange.202016582
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Na3SO4H – ein erster Vertreter der Materialklasse der Sulfathydride

Abstract: Die ersten Vertreter einer neuen Klasse gemischt‐anionischer Verbindungen, das Sulfathydrid Na3SO4H und das entsprechende Deuterid Na3SO4D, werden durch die Festkörperreaktion von NaH bzw. NaD mit trockenem Na2SO4 erhalten. Hierfür wird eine genaue Reaktionskontrolle benötigt, da zu harsche Reaktionsbedingungen zur Reduktion des Sulfats zum Sulfid führen. Eine kombinierte Auswertung von Röntgen‐ und Neutronendiffraktometrie zeigt, dass die Verbindung tetragonal mit der Raumgruppe P4/nmm und den Zellparametern … Show more

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Cited by 2 publications
(2 citation statements)
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“…IR and Raman spectroscopy are other suited methods to support the structure model due to the vibrational activity of both hydride and nitridoborate anions [17,27–28] . The experimental FTIR spectrum of Sr 13 [BN 2 ] 6 H 8 (Figure 4) agrees well with the simulated one obtained by DFT calculations at the PBE0 level of theory, showing the characteristic vibrations of the [BN 2 ] 3− units and H − atoms.…”
Section: Resultssupporting
confidence: 54%
See 1 more Smart Citation
“…IR and Raman spectroscopy are other suited methods to support the structure model due to the vibrational activity of both hydride and nitridoborate anions [17,27–28] . The experimental FTIR spectrum of Sr 13 [BN 2 ] 6 H 8 (Figure 4) agrees well with the simulated one obtained by DFT calculations at the PBE0 level of theory, showing the characteristic vibrations of the [BN 2 ] 3− units and H − atoms.…”
Section: Resultssupporting
confidence: 54%
“…The 1 H spectrum (Figure 5, top) shows two signals at 6.4 and 5.4 ppm, which is consistent with the presence of two crystallographically independent hydrogen positions in the structure. The signals are shifted towards the lower magnetic field, an effect already observed for other salt‐like hydride species [27,29–30] . The MAS spectrum of 11 B ( I =3/2) shows the central‐transition resonance, which exhibits second order broadening due to the quadrupolar interaction (Figure 5, bottom).…”
Section: Resultsmentioning
confidence: 56%