Field-dependent paramagnetic relaxation enhancement in solutions of Ni(II): What happens above the NMR proton frequency of 1 GHz?

[Display omitted] •A high-field relaxation maximum for a Ni(II) salt solution has been observed.•Intramolecular and intermolecular relaxation contributions have been considered.•Complementary molecular-dynamics calculations have been performed. An extended set of paramagnetic relaxation enhancement...

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Published in:Journal of magnetic resonance (1997) 2020-05, Vol.314, p.106737-106737, Article 106737
Main Authors: Kowalewski, Jozef, Fries, Pascal H., Kruk, Danuta, Odelius, Michael, Egorov, Andrei V., Krämer, Steffen, Stork, Holger, Horvatić, Mladen, Berthier, Claude
Format: Article
Language:English
Subjects:
Condensed Matter
Molecular dynamics
NMR
Paramagnetic relaxation enhancement
Physics
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Summary:[Display omitted] •A high-field relaxation maximum for a Ni(II) salt solution has been observed.•Intramolecular and intermolecular relaxation contributions have been considered.•Complementary molecular-dynamics calculations have been performed. An extended set of paramagnetic relaxation enhancement (PRE) data, up to the field of 32.9 Tesla, is reported for protons in an acidified aqueous solution of a Ni(II) salt in the presence and in the absence of added glycerol. For the 55% w/w glycerol sample, a distinct maximum in the PRE vs magnetic field curve is observed for the first time. The data are analysed using the Swedish slow-motion theory, including both the intramolecular (inner-sphere) and intermolecular (outer-sphere) contributions. The results indicate that estimating the outer-sphere part in the presence of the more efficient inner-sphere term is a difficult task.
ISSN:1090-7807
1096-0856
1096-0856
DOI:10.1016/j.jmr.2020.106737