Pressure-Induced Hydrogen Bond Symmetrization in Iron Oxyhydroxide

Xu, Weiming; Greenberg, Eran; Rozenberg, G. Kh.; Pasternak, M.; Bykova, Elena; Boffa-Ballaran, Tiziana; Dubrovinsky, Leonid; Prakapenka, Vitali B.; Hanfland, Michael; Vekilova, Olga Yu.; Simak, Sergei I.; Abrikosov, Igor A.

doi:10.1103/physrevlett.111.175501

Cited by 52 publications

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References 25 publications

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“…The FeO 3 (OH) 3 octahedra are connected and form double chains through shared edges (O II and O I ). Furthermore, these chains are linked to each other via corners (O I ), thus creating tunnel‐like 2 × 1 ‘cavities’ (devoid of Fe ions). There are also hydrogen bonds between the double octahedral chains, with the hydrogen atoms being located essentially in the ‘tunnels’ of the crystal .…”

Section: Resultsmentioning

confidence: 99%

In‐situ isothermal micro‐Raman spectroscopy reveals the activation energy of dehydration in α‐FeOOH

Sendova

Hosterman

Grebe

2017

J Raman Spectroscopy

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A real‐time, isothermal micro‐Raman spectroscopy was developed as a single technique for monitoring the solid state kinetics of dehydration and measuring its activation energy. The technique comprises of acquisition and numerical analysis of a set of isothermal time‐dependent Raman spectra. α‐FeOOH transformation to Fe2O3 in N2 atmosphere was continuously monitored for up to 16 h at three temperatures. Dehydration activation energy of 1.4(1) eV was estimated. The Raman band evolution of two modes with different symmetries (B1g ~ 240 cm−1 and Ag ~ 400 cm−1) and the intensity decay of B1g mode at ~540 cm−1 are analyzed independently utilizing kinetic model‐free approach. The study opens new possibilities for developing versatile solid state chemical and bio‐chemical Raman sensors and advances the field of analytical micro‐Raman spectroscopy. Copyright © 2017 John Wiley & Sons, Ltd.

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Section: Resultsmentioning

confidence: 99%

In‐situ isothermal micro‐Raman spectroscopy reveals the activation energy of dehydration in α‐FeOOH

Sendova

Hosterman

Grebe

2017

J Raman Spectroscopy

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“…All black symbols with the error-bars designate XRD results of the current work, colored symbols are for literature data [8,13,33,34]. Symbol type indicates the crystal structure observed:, R − 3c (hematite); , Pbna (Rh 2 O 3 -II structural type); , P2 1 /n; , Cmcm (PPv structural type).…”

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confidence: 97%

Novel high pressure monoclinic Fe₂O₃ polymorph revealed by single-crystal synchrotron X-ray diffraction studies

Bykova

Bykov

Prakapenka

et al. 2013

High Pressure Research

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A novel high pressure polymorph of iron sesquioxide, m-Fe 2 O 3 , has been identified by means of singlecrystal synchrotron X-ray diffraction (XRD). Upon compression of a single crystal of hematite, α-Fe 2 O 3 , in a diamond anvil cell, the transition occurs at pressure of about 54 GPa and results in ∼10% volume reduction. The crystal structure of the new phase was solved by the direct method (monoclinic space group P2 1 /n, a = 4.588(3), b = 4.945(2), c = 6.679(7) Å and β = 91.31(9) • ) and refined to R 1 ∼11%. It belongs to the cryolite double-perovskite structure type and consists of corner-linked FeO 6 octahedra and FeO 6 trigonal prisms filling the free space between the octahedra. Upon compression up to ∼71 GPa at ambient temperature no further phase transitions were observed. Laser heating to ∼ 2100 ± 100 K promotes a transition to the Cmcm CaIrO 3 -type (post-perovskite (PPv)) phase. The PPv-Fe 2 O 3 crystal structure was refined by means of single-crystal XRD at ∼65 GPa. On decompression the PPv-Fe 2 O 3 phase fully transforms back to hematite at pressures between ∼25 and 15 GPa.

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“…Studied for more than one hundred years [1] HBs have been of continuous interest in physics [2] chemistry [3][4][5], and biology [6]. In the latter case, the role of HBs in enzyme catalysis is widely studied.…”

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Measurement of Proton Tunneling in Short Hydrogen Bonds in Single Crystals of 3,5 Pyridinedicarboxylic Acid Using Nuclear Magnetic Resonance Spectroscopy

et al. 2014

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. (2014) 'Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy.', Physical review letters., 113 (1). 018301.Further information on publisher's website:http://dx.doi.org/10.1103/PhysRevLett.113.018301Publisher's copyright statement:Reprinted with permission from the American Physical Society: Phys. Rev. Lett. 113, 018301 c (2014) by the American Physical Society. Readers may view, browse, and/or download material for temporary copying purposes only, provided these uses are for noncommercial personal purposes. Except as provided by law, this material may not be further reproduced, distributed, transmitted, modi ed, adapted, performed, displayed, published, or sold in whole or part, without prior written permission from the American Physical Society.Additional information: Use policyThe full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details.

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Pressure-Induced Hydrogen Bond Symmetrization in Iron Oxyhydroxide

Cited by 52 publications

References 25 publications

In‐situ isothermal micro‐Raman spectroscopy reveals the activation energy of dehydration in α‐FeOOH

In‐situ isothermal micro‐Raman spectroscopy reveals the activation energy of dehydration in α‐FeOOH

Novel high pressure monoclinic Fe₂O₃ polymorph revealed by single-crystal synchrotron X-ray diffraction studies

Measurement of Proton Tunneling in Short Hydrogen Bonds in Single Crystals of 3,5 Pyridinedicarboxylic Acid Using Nuclear Magnetic Resonance Spectroscopy

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Pressure-Induced Hydrogen Bond Symmetrization in Iron Oxyhydroxide

Cited by 52 publications

References 25 publications

In‐situ isothermal micro‐Raman spectroscopy reveals the activation energy of dehydration in α‐FeOOH

In‐situ isothermal micro‐Raman spectroscopy reveals the activation energy of dehydration in α‐FeOOH

Novel high pressure monoclinic Fe2O3 polymorph revealed by single-crystal synchrotron X-ray diffraction studies

Measurement of Proton Tunneling in Short Hydrogen Bonds in Single Crystals of 3,5 Pyridinedicarboxylic Acid Using Nuclear Magnetic Resonance Spectroscopy

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Novel high pressure monoclinic Fe₂O₃ polymorph revealed by single-crystal synchrotron X-ray diffraction studies