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Molecular and Ionic Dynamics by Means of Nuclear Magnetic Resonance 2.0

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (31 May 2022) | Viewed by 3979

Special Issue Editor

Prof. Dr. Danuta Kruk

E-Mail Website
Guest Editor
Faculty of Mathematics and Computer Science, University of Warmia & Mazury in Olsztyn, Słoneczna 54, 10-710 Olsztyn, Poland
Interests: spin resonances; liquid dynamics; relaxation processes; nuclear magnetic resonance
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nuclear magnetic resonance (NMR) is considered one of the most powerful techniques for investigating molecular and ionic dynamics. The main NMR methods exploited for this purpose encompass spectroscopy, diffusometry, and relaxometry. The highly-developed, extremely versatile NMR methods are used for the study of all types of soft matter and solid systems. The applications range from simple liquids, via macromolecular systems, like polymers, proteins or dendrimers, to various kinds of solids and even tissues. The great advantages of NMR methods include the broad time scale of the dynamic processes probed (from ms to ps), the unique potential to reveal the underlying mechanism of motion, and the atomistic resolution, especially when combined with isotope substitution. There are numerous examples of scientific and technological problems addressed by NMR: mechanisms of ionic motion and diffusion paths in novel solid and liquid electrolytes, efficiency of tailored contrast agents for medical diagnostics based on magnetic resonance imaging, and dynamical properties of polymers and dendrimers, including drug delivery systems or mechanisms of molecular and ionic interactions with surfaces.

This Special Issue is meant to provide an extensive overview of a variety of applications of NMR-based experimental methods, accompanied by parallel theoretical development, for the purpose of demonstrating their potential for interdisciplinary studies involving material sciences, physics, chemistry, biology, and medicine.

Prof. Dr. Danuta Kruk
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • NMR
  • dynamics
  • diffusion
  • spectroscopy
  • relaxation

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Published Papers (2 papers)

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Research

14 pages, 4856 KiB  
Article
Relative Cation-Anion Diffusion in Alkyltriethylammonium-Based Ionic Liquids
by Danuta Kruk, Elżbieta Masiewicz, Karol Kołodziejski, Roksana Markiewicz and Stefan Jurga
Int. J. Mol. Sci. 2022, 23(11), 5994; https://doi.org/10.3390/ijms23115994 - 26 May 2022
Cited by 5 | Viewed by 1681
Abstract
19F Nuclear Magnetic Resonance spin-lattice relaxation experiments have been performed for a series of ionic liquids including the same anion, bis(trifluoromethanesulfonyl)imide, and cations with alkyl chains of different lengths: triethylhexylammonium, triethyloctylammonium, decyltriethylammonium, dodecyltriethylammonium, decyltriethylammonium, and hexadecyltriethylammonium. The experiments have been carried [...] Read more.
19F Nuclear Magnetic Resonance spin-lattice relaxation experiments have been performed for a series of ionic liquids including the same anion, bis(trifluoromethanesulfonyl)imide, and cations with alkyl chains of different lengths: triethylhexylammonium, triethyloctylammonium, decyltriethylammonium, dodecyltriethylammonium, decyltriethylammonium, and hexadecyltriethylammonium. The experiments have been carried out in a frequency range of 10 kHz to 10 MHz versus temperature. A thorough analysis of the relaxation data has led to the determination of the cation–anion as a relative translation diffusion coefficient. The diffusion coefficients have been compared with the corresponding cation–cation and anion–anion diffusion coefficients, revealing a correlation in the relative translation movement of the anion and the triethylhexylammonium, triethyloctylammonium, decyltriethylammonium, and dodecyltriethylammonium cations, whereas the relative translation diffusion between the anion and the cations with the longer alkyl chains, decyltriethylammonium and hexadecyltriethylammonium, remains rather uncorrelated (correlated to a much lesser extent). Full article
(This article belongs to the Special Issue Molecular and Ionic Dynamics by Means of Nuclear Magnetic Resonance 2.0)
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13 pages, 2349 KiB  
Article
Relationship between Translational and Rotational Dynamics of Alkyltriethylammonium-Based Ionic Liquids
by Danuta Kruk, Elzbieta Masiewicz, Sylwia Lotarska, Roksana Markiewicz and Stefan Jurga
Int. J. Mol. Sci. 2022, 23(3), 1688; https://doi.org/10.3390/ijms23031688 - 1 Feb 2022
Cited by 6 | Viewed by 1852
Abstract
1H spin-lattice relaxation experiments have been performed for a series of ionic liquids including bis(trifluoromethanesulfonyl)imide anion and cations of a varying alkyl chain length: triethylhexylammonium, triethyloctylammonium, decyltriethylammonium, dodecyltriethylammonium, triethyltetradecylammonium, and hexadecyltriethylammonium. The relaxation studies were carried out in abroad frequency range covering [...] Read more.
1H spin-lattice relaxation experiments have been performed for a series of ionic liquids including bis(trifluoromethanesulfonyl)imide anion and cations of a varying alkyl chain length: triethylhexylammonium, triethyloctylammonium, decyltriethylammonium, dodecyltriethylammonium, triethyltetradecylammonium, and hexadecyltriethylammonium. The relaxation studies were carried out in abroad frequency range covering three orders of magnitude, from 10 kHz to 10 MHz, versus temperature. On the basis of a thorough, quantitative analysis of this reach data set, parameters characterizing the relative, cation-cation, translation diffusion (relative diffusion coefficients and translational correlation times), and rotational motion of the cation (rotational correlation times) were determined. Relationships between these quantities and their dependence on the alkyl chain length were discussed in comparison to analogous properties of molecular liquids. It was shown, among other findings, that the ratio between the translational and rotational correlation times is smaller than for molecular liquids and considerably dependent on temperature. Moreover, a comparison of relative and self-diffusion coefficients indicate correlated translational dynamics of the cations. Full article
(This article belongs to the Special Issue Molecular and Ionic Dynamics by Means of Nuclear Magnetic Resonance 2.0)
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