Polar/apolar domains' dynamics in alkylimidazolium ionic liquids unveiled by the dual receiver NMR 1H and 19F relaxation experiment

Pietro, Maria Enrica Di; Castiglione, Franca

doi:10.1016/j.molliq.2020.114567

Cited by 14 publications

(19 citation statements)

References 59 publications

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“…From the term in brackets in Eq. (1), it follows that T1 is minimum when 0 = 2 0 = 0.616 [58][59][60] , which means here = 0.616/(2 • 500.13 • 10 6 Hz) = 196 ps. Such minimum T1 value can be used to calculate from Eq.…”

Section: Experimental and Computational Detailsmentioning

confidence: 89%

“…The correlation time of the dipolar interaction can be thought of as the time required for the vector connecting the interacting nuclei to rotate through the angle of one radian, and for small rigid molecules it commonly reflects the molecular reorientational time constant. 56 As for flexible ionic liquids 57,58 , the observed for acetaline have to be rather considered as a combination of molecular reorientation and internal motions of each given segment. From the term in brackets in Eq.…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

“…The temperature-dependent correlation times can be then used in an Arrhenius-type equation to calculate the "apparent" activation energy (averaged over several types of movements). 58,61 Alternatively, by substituting the function of the correlation time approximated as an Arrhenius expression into the BPP equation (Eq. ( 1)), and assuming temperature insensitive, the combined equation can be directly solved yielding the same outputs within the experimental error.…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

“…( 1)), and assuming temperature insensitive, the combined equation can be directly solved yielding the same outputs within the experimental error. 58,62 Although the two methods are essentially the same from the theoretical standpoint, the latter nonlinear least squares method is useful in cases where an exact minimum is not reached in the examined temperature range, and is recommended even for protons where a T1 minimum can be distinctly observed as it needs less steps with a reduced margin of error. 58 The nonlinear least squares method was used here to fit all T1 data obtaining the correlation times and activation energies reported in Figure 9.…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

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Liquid structure and dynamics in the choline acetate:urea 1:2 deep eutectic solvent

Triolo

Pietro

Celso

et al. 2021

The Journal of Chemical Physics

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We report on the thermodynamic, structural and dynamic properties of a recently proposed Deep Eutectic Solvent (DES), formed by choline acetate and urea at the stoichiometric ratio 1:2, hereinafter indicated as acetaline. Acetaline, although melting at ca. 40 °C, can be easily supercooled in its liquid state at sub-ambient conditions. The existence of a crystalline phase has been detected, together with the glass-liquid transition at -50 °C. Synchrotron high energy X-ray scattering experiments provide the experimental data for supporting a Reverse Monte Carlo analysis to extract structural information at atomistic level. This exploration of acetaline's liquid structure reveals the major role played by hydrogen bonding in determining interspecies correlations: both acetate and urea are strong hydrogen bond acceptor sites, while both the choline hydroxyl and urea act as HB donors. All acetaline moieties are involved in mutual interactions, with acetate and urea strongly interacting through hydrogen bonding, while choline being involved mostly in van der Waals mediated interactions. Such a structural situation is mirrored by the dynamic evidences obtained by means of 1 H NMR techniques, that show how urea and acetate species experience higher translational activation energy than choline, fingerprinting their stronger commitments into the extended hydrogen bonding network established in acetaline.

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Section: Experimental and Computational Detailsmentioning

confidence: 89%

Section: Experimental and Computational Detailsmentioning

confidence: 99%

Section: Experimental and Computational Detailsmentioning

confidence: 99%

Section: Experimental and Computational Detailsmentioning

confidence: 99%

See 2 more Smart Citations

Liquid structure and dynamics in the choline acetate:urea 1:2 deep eutectic solvent

Triolo

Pietro

Celso

et al. 2021

The Journal of Chemical Physics

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“…[ 130 ] Due to that effect, mobility of polar and nonpolar region can be crucially different. [ 131 ] However, to understand the transport of dissolved species in the pore, it is necessary to gain good knowledge of viscosity modulations within the pore. Nonetheless, fully grasping the relation between structure and diffusivity of IL has been a real challenge and requires precise analysis of the single pore transport.…”

Section: Interaction Of Neat Ils With Nanoporesmentioning

confidence: 99%

From Water Solutions to Ionic Liquids with Solid State Nanopores as a Perspective to Study Transport and Translocation Phenomena

Marion

Vučemilović‐Alagić

Špadina

et al. 2021

Small

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Solid state nanopores are single‐molecular devices governed by nanoscale physics with a broad potential for technological applications. However, the control of translocation speed in these systems is still limited. Ionic liquids are molten salts which are commonly used as alternate solvents enabling the regulation of the chemical and physical interactions on solid–liquid interfaces. While their combination can be challenging to the understanding of nanoscopic processes, there has been limited attempts on bringing these two together. While summarizing the state of the art and open questions in these fields, several major advances are presented with a perspective on the next steps in the investigations of ionic‐liquid filled nanopores, both from a theoretical and experimental standpoint. By analogy to aqueous solutions, it is argued that ionic liquids and nanopores can be combined to provide new nanofluidic functionalities, as well as to help resolve some of the pertinent problems in understanding transport phenomena in confined ionic liquids and providing better control of the speed of translocating analytes.

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Broadband NMR Relaxometry as a Powerful Technique to Study Molecular Dynamics of Ionic Liquids

Fraenza

Greenbaum

2023

ChemPhysChem

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Fast field cycling nuclear magnetic resonance (FFC NMR) relaxometry technique has been demonstrated to be a useful analytical tool to investigate molecular dynamics in very diverse systems during the last decades. Of particular importance has been its application in studying ionic liquids, upon which this review article is based. Some of the research carried out on ionic liquids during the last ten years using this technique is highlighted in this article with the aim of promoting the favorable features of FFC NMR applied toward understanding dynamics of complex systems.

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Polar/apolar domains' dynamics in alkylimidazolium ionic liquids unveiled by the dual receiver NMR 1H and 19F relaxation experiment

Cited by 14 publications

References 59 publications

Liquid structure and dynamics in the choline acetate:urea 1:2 deep eutectic solvent

Liquid structure and dynamics in the choline acetate:urea 1:2 deep eutectic solvent

From Water Solutions to Ionic Liquids with Solid State Nanopores as a Perspective to Study Transport and Translocation Phenomena

Broadband NMR Relaxometry as a Powerful Technique to Study Molecular Dynamics of Ionic Liquids

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