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

被引：4

作者：

Kowalewski, Jozef ^{[1
]}

Fries, Pascal H. ^{[2
]}

Kruk, Danuta ^{[3
]}

Odelius, Michael ^{[4
]}

Egorov, Andrei, V ^{[5
]}

Kramer, Steffen ^{[6
]}

Stork, Holger ^{[7
]}

Horvatic, Mladen ^{[6
]}

Berthier, Claude ^{[6
]}

机构：

[1] Stockholm Univ, Dept Mat & Environm Chem, SE-11691 Stockholm, Sweden

[2] Univ Grenoble Alpes, CEA, IRIG MEM, F-38000 Grenoble, France

[3] Univ Warmia & Mazury, Fac Math & Comp Sci, Sloneczna 54, PL-10710 Olsztyn, Poland

[4] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden

[5] St Petersburg State Univ, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia

[6] Univ Grenoble Alpes, LNCMI, UPR3228, EMFL,INSA Toulouse,Univ Toulouse Paul Sabtier,CNR, BP 166, F-38042 Grenoble 09, France

[7] Innovent eV, Prussingstr 27B, D-07745 Jena, Germany

来源：

JOURNAL OF MAGNETIC RESONANCE | 2020年 / 314卷

基金：

瑞典研究理事会;

关键词：

NMR; Paramagnetic relaxation enhancement; Molecular dynamics; NUCLEAR-MAGNETIC-RESONANCE; SPIN-LATTICE-RELAXATION; MOLECULAR-DYNAMICS; DIFFUSION-COEFFICIENTS; AQUEOUS-SOLUTIONS; WATER; SIMULATIONS; COMPLEXES; BINARY; IONS;

D O I：

10.1016/j.jmr.2020.106737

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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. (C) 2020 The Authors. Published by Elsevier Inc.

引用

页数：7

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