Na3SO4H—The First Representative of the Material Class of Sulfate Hydrides

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.

Keywords

anions, density functional calculations, hydrides, NMR spectroscopy

DOI

10.1002/anie.202016582

Citation

Mutschke, A, Bernard, G M, Bertmer, M, Karttunen, A J, Ritter, C, Michaelis, V K & Kunkel, N 2021, ' Na 3 SO 4 H—The First Representative of the Material Class of Sulfate Hydrides ', Angewandte Chemie - International Edition, vol. 60, no. 11, pp. 5683-5687 . https://doi.org/10.1002/anie.202016582

Permanent link to this item

https://urn.fi/URN:NBN:fi:aalto-202104286404

Collections

[article-cris] Kemian tekniikan korkeakoulu / CHEM

Show all metadata

Na3SO4H—The First Representative of the Material Class of Sulfate Hydrides

Access rights

URL

Journal Title

Journal ISSN

Volume Title

Authors

Date

Department

Major/Subject

Mcode

Degree programme

Language

Pages

Series

Abstract

Description

Keywords

Other note

DOI

Citation

Permanent link to this item

Collections