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Nuclear spin coupling crossover in dense molecular hydrogen

Title data

Meier, Thomas ; Laniel, Dominique ; Pena-Alvarez, Miriam ; Trybel, Florian ; Khandarkhaeva, Saiana ; Krupp, Alena ; Jacobs, Jeroen ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Nuclear spin coupling crossover in dense molecular hydrogen.
In: Nature Communications. Vol. 11 (2020) Issue 1 . - No. 6334.
ISSN 2041-1723
DOI: https://doi.org/10.1038/s41467-020-19927-y

Official URL: Volltext

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Abstract in another language

One of the most striking properties of molecular hydrogen is the coupling between molecular rotational properties and nuclear spin orientations, giving rise to the spin isomers ortho- and para-hydrogen. At high pressure, as intermolecular interactions increase significantly, the free rotation of H2 molecules is increasingly hindered, and consequently a modification of the coupling between molecular rotational properties and the nuclear spin system can be anticipated. To date, high-pressure experimental methods have not been able to observe nuclear spin states at pressures approaching 100 GPa (Meier, Annu. Rep. NMR Spectrosc. 94:1–74, 2017; Meier, Prog. Nucl. Magn. Reson. Spectrosc. 106–107:26–36, 2018) and consequently the effect of high pressure on the nuclear spin statistics could not be directly measured. Here, we present in-situ high-pressure nuclear magnetic resonance data on molecular hydrogen in its hexagonal phase I up to 123 GPa at room temperature. While our measurements confirm the presence of ortho-hydrogen at low pressures, above 70 GPa, we observe a crossover in the nuclear spin statistics from a spin-1 quadrupolar to a spin-1/2 dipolar system, evidencing the loss of spin isomer distinction. These observations represent a unique case of a nuclear spin crossover phenomenon in quantum solids.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: Chemical physics; Condensed-matter physics
Institutions of the University: Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions > Professor Materials Physics and Technology at Extreme Conditions - Univ.-Prof. Dr. Natalia Doubrovinckaia
Research Institutions
Research Institutions > Research Centres
Research Institutions > Research Centres > Bavarian Research Institute of Experimental Geochemistry and Geophysics - BGI
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 20 Mar 2021 22:00
Last Modified: 12 Apr 2021 11:19
URI: https://eref.uni-bayreuth.de/id/eprint/64187