Journey to the centre of the Earth: Jules Vernes’ dream in the laboratory from an NMR perspective

Meier, Thomas

doi:10.1016/j.pnmrs.2018.04.001

Cited by 15 publications

(13 citation statements)

References 52 publications

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“…One of the most promising spectroscopic methods to deal with these problems is nuclear magnetic resonance (NMR) spectroscopy, where proton NMR is best known for providing one of the highest possible NMR signal strengths, and allows direct observation of the electronic and structural environment of the nuclei. However, an application of NMR spectroscopy at high pressures, particularly in diamond anvil cells (DACs), was unfeasible, with set-ups unable to surpass 8 GPa on average, with rare exceptions reaching pressures above 10 GPa 16 , 17 .…”

Section: Introductionmentioning

confidence: 99%

Observation of nuclear quantum effects and hydrogen bond symmetrisation in high pressure ice

Meier¹,

Petitgirard²,

Khandarkhaeva³

et al. 2018

Nat Commun

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Hydrogen bond symmetrisations in H-bonded systems triggered by pressure-induced nuclear quantum effects (NQEs) is a long-known concept but experimental evidence in high-pressure ices has remained elusive with conventional methods. Theoretical works predicted quantum-mechanical tunneling of protons within water ices to occur at pressures above 30 GPa, and the H-bond symmetrisation transition to occur above 60 GPa. Here we used 1H-NMR on high-pressure ice up to 97 GPa, and demonstrate that NQEs govern the behavior of the hydrogen bonded protons in ice VII already at significantly lower pressures than previously expected. A pronounced tunneling mode was found to be present up to the highest pressures of 97 GPa, well into the stability field of ice X, where NQEs are not anticipated in a fully symmetrised H-bond network. We found two distinct transitions in the NMR shift data at about 20 GPa and 75 GPa attributed to the step-wise symmetrisation of the H-bond.

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Section: Introductionmentioning

confidence: 99%

Observation of nuclear quantum effects and hydrogen bond symmetrisation in high pressure ice

Meier¹,

Petitgirard²,

Khandarkhaeva³

et al. 2018

Nat Commun

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“…The state-of-the-art of high pressure NMR spectroscopy has recently been reviewed in Refs. [18,19]. These recent developments pave the path towards NMR spectroscopy experiments in the pressure range relevant for high pressure hydrogen phases II-VI.…”

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confidence: 99%

Nuclear Magnetic Resonance Spectroscopy as a Dynamical Structural Probe of Hydrogen under High Pressure

2019

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An unambiguous crystallographic structure solution for the observed phases II-VI of high pressure hydrogen does not exist due to the failure of standard structural probes at extreme pressure. In this work we propose that nuclear magnetic resonance spectroscopy provides a complementary structural probe for high pressure hydrogen. We show that the best structural models available for phases II, III, and IV of high pressure hydrogen exhibit markedly distinct nuclear magnetic resonance spectra which could therefore be used to discriminate amongst them. As an example, we demonstrate how nuclear magnetic resonance spectroscopy could be used to establish whether phase III exhibits polymorphism. Our calculations also reveal a strong renormalisation of the nuclear magnetic resonance response in hydrogen arising from quantum fluctuations, as well as a strong isotope effect. As the experimental techniques develop, nuclear magnetic resonance spectroscopy can be expected to become a useful complementary structural probe in high pressure experiments.

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“…Four DACs for NMR measurements were prepared following the procedure described previously [15]. Diamond anvils with pairs of 250 µm and 100 µm culets were covered with a 1 µm layer of copper using physical vapor deposition.…”

Section: B Nuclear Magnetic Resonance Measurementsmentioning

confidence: 99%

“…Experimental probes in the DAC, the most important device used to generate high P in solid state research of novel hydrides, have not been able to directly investigate electronic and dynamic properties of the hydrogen sublattice until recently. By combining magnetic flux tailoring techniques [12][13][14] and a modified DAC design [15], the accessible P range for 1 H nuclear magnetic resonance (NMR) spectroscopy in the DAC was recently extended from P < 10 GPa [15,17] to beyond 100 GPa [18,19].…”

Section: Introductionmentioning

confidence: 99%

Proton mobility in metallic copper hydride from high-pressure nuclear magnetic resonance

et al. 2020

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The atomic and electronic structures of Cu 2 H and CuH have been investigated by high-pressure nuclear magnetic resonance spectroscopy up to 96 GPa, X-ray diffraction up to 160 GPa, and density functional theory-based calculations. Metallic Cu 2 H was synthesized at a pressure of 40 GPa, and semimetallic CuH at 90 GPa, found stable up to 160 GPa. For Cu 2 H, experiments and computations show an anomalous increase in the electronic density of state at the Fermi level for the hydrogen 1s states and the formation of a hydrogen network in the pressure range 43-58 GPa, together with high 1 H mobility of ∼10 −7 cm 2 /s. A comparison of these observations with results on FeH suggests that they could be common features in metal hydrides.

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Journey to the centre of the Earth: Jules Vernes’ dream in the laboratory from an NMR perspective

Cited by 15 publications

References 52 publications

Observation of nuclear quantum effects and hydrogen bond symmetrisation in high pressure ice

Observation of nuclear quantum effects and hydrogen bond symmetrisation in high pressure ice

Nuclear Magnetic Resonance Spectroscopy as a Dynamical Structural Probe of Hydrogen under High Pressure

Proton mobility in metallic copper hydride from high-pressure nuclear magnetic resonance

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