Pair distribution functions from neutron total scattering for the study of local structure in disordered materials

MT Dove, G Li - Nuclear Analysis, 2022 - Elsevier
With the development of pulsed spallation sources of neutrons in recent years has come the
possibility to generate intense beams of higher energy than possible at reactor sources. This …

Trace Water Changes Metal Ion Speciation in Deep Eutectic Solvents: Ce3+ Solvation and Nanoscale Water Clustering in Choline Chloride–Urea–Water Mixtures

OS Hammond, EK Bathke, DT Bowron… - Inorganic …, 2023 - ACS Publications
Eutectic mixtures of choline chloride, urea, and water in deep eutectic solvent (DES)/water
molar hydration ratios (w) of 2, 5, and 10, with dissolved cerium salt, were measured using …

Solvation Dynamics and Microheterogeneity in Deep Eutectic Solvents

S Chatterjee, T Chowdhury… - The Journal of Physical …, 2024 - ACS Publications
Deep eutectic solvents have attracted considerable attention due to their unique properties
and their potential to replace conventional solvents in diverse applications, such as …

Evidence for an L 3 phase in ternary deep eutectics: composition-induced L 3-to-L α transition of AOT

OS Hammond, NS Elstone, J Doutch, P Li, KJ Edler - Nanoscale, 2023 - pubs.rsc.org
Pure and hydrated deep eutectic solvents (DES) are proposed to form self-assembled
nanostructures within the fluid bulk, similar to the bicontinuous L3 phase common for ionic …

Liquid structure of a water-based, hydrophobic and natural deep eutectic solvent: The case of thymol-water. A Molecular Dynamics study

A Triolo, FL Celso, O Russina - Journal of Molecular Liquids, 2023 - Elsevier
The structural organization of the first example of a water-based, type V, hydrophobic,
natural deep eutectic solvent (DES) is investigated in this work, exploiting the synergy of X …

[HTML][HTML] Unveiling the structural organisation of carvacrol through X-ray scattering and molecular Dynamics: A comparative study with liquid thymol

E Mangiacapre, A Triolo, F Ramondo, FL Celso… - Journal of Molecular …, 2024 - Elsevier
An integrated approach involving Small and Wide Angle X-ray scattering and computational
tools, Molecular Dynamics (MD) and Density Functional Theory (DFT) calculations, was …

Mix-and-Match Diols: Adjusting Self-Assembly of Micellar Phases in Choline Chloride Eutectics

OS Hammond, A Sanchez-Fernandez, R Tyte… - Crystals, 2022 - mdpi.com
The common Deep Eutectic Solvent (DES)'ethaline'(1: 2 choline chloride: ethylene glycol)
was examined here as a basis for the self-assembly of the surfactant …

A strategy of consistent X-ray and neutron double-difference pair distribution function analysis of nanoparticle dispersions

SLJ Thomä, J Neuefeind, TGA Youngs… - Colloid and Polymer …, 2024 - Springer
It has been demonstrated that the X-ray pair distribution function (PDF) formalism allows for
the identification of very small signal contributions in multi-component systems by the …

Are Grignard Reactions in Deep Eutectic Solvents Interface-Driven?

I Manasi, M Bortoli, D Bowron, M Campana… - 2024 - chemrxiv.org
Organolithium and organomagnesium addition reactions to ketones are important and
versatile processes used in synthetic organic chemistry. However, due to the high reactivity …