Hierfür wird eine genaue Reaktionskontrolle benötigt, da zu harsche Reaktionsbedingungen zur Reduktion des Sulfats zum Sulfid führen. Eine Reihe an verschiedenen Methoden, wie Neutronen‐ und Röntgenbeugung, Festkörper‐NMR, Schwingungsspektroskope und Dichtefunktionalberechnungen, wird angewendet.ĭie ersten Vertreter einer neuen Klasse gemischt‐anionischer Verbindungen, das Sulfathydrid Na3SO4H und das entsprechende Deuterid Na3SO4D, werden durch die Festkörperreaktion von NaH bzw. Mittels exakter Reaktionskontrolle konnte ein neuartiges Sulfathydrid – der erste Vertreter einer neuen Materialklasse – hergestellt werden. The orange‐red emission obtained via doping with Eu 2+ shows that the new compound class might be a promising host material for optical applications. FT‐IR and Raman spectroscopy of different samples containing 1 H, 2 H, nat B and 11 B combined with calculations unambiguously prove the absence of hydroxide ions and the sole incorporation of hydride ions into the borate.
The observed 1 H chemical shift is in good agreement with previously reported 1 H chemical shifts of ionic metal hydrides as well as with quantum chemical calculations and very different from 1 H chemical shifts usually found for hydroxide ions in similar materials. A number of characterization methods, including 1 H solid‐state MAS NMR and vibrational spectroscopy together with quantum chemical calculations of the 1 H chemical shifts and vibrational spectra as well as X‐ray and neutron powder diffraction, elemental analysis and luminescence spectroscopy of an Eu 2+ ‐doped sample were applied to study the compound. Doped with Eu 2+, it shows broad‐band orange‐red emission under UV excitation due to the 4f 6 5d‐4f 7 transition of Eu 2+. Despite the presence of hydride anions, the compound decomposes only slowly in air. The unprecedented borate hydride Sr 5 (BO 3 ) 3 H and Sr 5 (BO 3 ) 3 D crystallizing in an apatite‐related structure iare reported.
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