Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide
2013 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 111, no 17Article in journal (Refereed) Published
Under high pressures the hydrogen bonds were predicted to transform from a highly asymmetric soft O-H center dot center dot center dot O to a symmetric rigid configuration in which the proton lies midway between the two oxygen atoms. Despite four decades of research on hydroxyl containing compounds, pressure induced hydrogen bond symmetrization remains elusive. Following single crystal x-ray diffraction, Mossbauer and Raman spectroscopy measurements supported by ab initio calculations, we report the H-bonds symmetrization in iron oxyhydroxide, FeOOH, resulting from the Fe3+ high-to-low spin crossover at above 45 GPa.
Place, publisher, year, edition, pages
2013. Vol. 111, no 17
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-97382DOI: 10.1103/PhysRevLett.111.175501ISI: 000326148500007OAI: oai:DiVA.org:liu-97382DiVA: diva2:647364