A Symmetric F−H−F Hydrogen Bond in Strontium Bifluoride, Sr[HF2]2

Single crystal X-ray diffraction shows the hydrogen bond within the [F−H−F]− anion of Sr[HF2]2 to be symmetric with H−F bond lengths of 1.143(5) Å and an intramolecular F⋅⋅⋅F distance of 2.2826(18) Å. The [HF2]− anion adopts crystallographic C2-symmetry, however, it is essentially linear with a F−H−F angle of 174(4)°. Solid-state quantum chemical calculations agree with the experimental findings, showing a slightly bent F−H−F angle of 177.8°. The decomposition of Sr[HF2]2 to SrF2 and HF is endothermic by +64 kJ/mol at room temperature. The bonding in the [F−H−F]− anion is clearly ionic both in the solid state and gas phase.

Description

Dataset CCDC 2117873, lisään kun landing page on auki Funding Information: We thank Dr. Matthias Conrad for helpful discussions and Solvay for generous donations of fluorine. T. G. thanks the HPC‐EUROPA3 (INFRAIA‐2016‐1‐730897) for a travel grant and the computing resources provided by CSC, the Finnish IT Center for Science. Open Access funding enabled and organized by Projekt DEAL. Publisher Copyright: © 2021 The Authors. Zeitschrift für anorganische und allgemeine Chemie published by Wiley-VCH GmbH

DOI

10.1002/zaac.202100374

Citation

Stene, R E, Graubner, T, Ivlev, S I, Karttunen, A J & Kraus, F 2022, ' A Symmetric F−H−F Hydrogen Bond in Strontium Bifluoride, Sr[HF 2 ] 2 ', Zeitschrift fur Anorganische und Allgemeine Chemie, vol. 648, no. 10, e202100374 . https://doi.org/10.1002/zaac.202100374

Permanent link to this item

https://urn.fi/URN:NBN:fi:aalto-202201261468

Collections

[article-cris] Kemian tekniikan korkeakoulu / CHEM

Show all metadata

A Symmetric F−H−F Hydrogen Bond in Strontium Bifluoride, Sr[HF2]2

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