At Its Extremes: NMR at Giga-Pascal Pressures

Meier, Thomas

doi:10.1016/bs.arnmr.2017.08.004

Cited by 23 publications

(27 citation statements)

References 185 publications

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“…In general, one might expect the most pronounced effects for quadrupolar nuclei (i.e., I > 1/2), such as the aluminium nucleus 27 Al ( I = 5/2). It could be shown 16 , that for these nuclei non-hydrostatic pressure conditions result in a significant line broadening originating from a non-isotropic deformation of the local charge distribution surrounding each quadrupole nucleus. However, I = 1/2 nuclei, such as hydrogen, do not possess a nuclear quadrupole moment which could interact with a potential electric field gradient influenced by non-hydrostatic pressure conditions, thus quadrupolar line broadening effects can be excluded 34 .…”

Section: Resultsmentioning

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: Resultsmentioning

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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“…This effect is consistent with previous investigations of pressure gradients in the sample hole using paraffin oil as a pressure medium [see figure 3 from the studies of Yamauchi et al . ( 19 ) and Meier and Haase ( 23 ) or figure 19 from the study of Meier ( 15 )].…”

Section: Resultsmentioning

confidence: 99%

“…Nonetheless, several research groups were able to implement NMR in DACs at pressures up to 10 GPa (1 GPa = 10,000 bar), and a more complete overview of the development of high-pressure NMR techniques in DACs is presented elsewhere ( 15 ). These previous setups suffered from low sensitivities and therefore were only applicable to systems rich in “high-γ n ” nuclei, such as hydrogen or fluorine, which provide the highest signal-to-noise ratios (SNRs) and thus the best sensitivity in an NMR experiment.…”

Section: Introductionmentioning

confidence: 99%

Magnetic flux tailoring through Lenz lenses for ultrasmall samples: A new pathway to high-pressure nuclear magnetic resonance

et al. 2017

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“…There has been long-term interest in combining NMR spectroscopy with diamond anvil cell high pressure experiments, and reports include studies of ortho-para hydrogen conversion up to 12.8 GPa [13] and proton diffusion up to 6.8 GPa [14]. Experiments are challenging due to a variety of factors, including weak signals, low resonator sensitivities, and poor access to the samples in the anvil cells, which have traditionally limited high pressure NMR spectroscopy experiments to a maximum of a few tens of GPa [15]. This situation has recently changed with the ground-breaking developments of Meier and co-workers, who exploiting magnetic flux tailoring Lenz lenses to amplify the magnetic field at the sample have measured hydrogen NMR spectra of paraffin up to 72 GPa [16] and of FeH up to 200 GPa [17].…”

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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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At Its Extremes: NMR at Giga-Pascal Pressures

Cited by 23 publications

References 185 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

Magnetic flux tailoring through Lenz lenses for ultrasmall samples: A new pathway to high-pressure nuclear magnetic resonance

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

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