[HTML][HTML] Structure and nanostructure in ionic liquids

R Hayes, GG Warr, R Atkin - Chemical reviews, 2015 - ACS Publications
Much of chemistry is concerned with the study of reactions and processes in solution, that is,
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …

Protic ionic liquids: evolving structure–property relationships and expanding applications

TL Greaves, CJ Drummond - Chemical reviews, 2015 - ACS Publications
The field of ionic liquds is growing significantly, with an increased focus on developing ionic
liquds for specific applications, along with fundamental research. By definition, ionic liquids …

Modern room temperature ionic liquids, a simple guide to understanding their structure and how it may relate to dynamics

JC Araque, JJ Hettige, CJ Margulis - The Journal of Physical …, 2015 - ACS Publications
Modern room temperature ionic liquids are structurally defined by symmetries on different
length scales. Polar–apolar alternation defines their nanoscale structural heterogeneity …

Extension of the CL&Pol polarizable force field to electrolytes, protic ionic liquids, and deep eutectic solvents

K Goloviznina, Z Gong, MF Costa Gomes… - Journal of Chemical …, 2021 - ACS Publications
The polarizable CL&Pol force field presented in our previous study, Transferable,
Polarizable Force Field for Ionic Liquids (J. Chem. Theory Comput. 2019, 15, 5858, DOI …

The CL &Pol polarizable force field for the simulation of ionic liquids and eutectic solvents

K Goloviznina, Z Gong… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
Molecular dynamics (MD) simulation, and theoretical chemistry in general, have been
central tools in the study of ionic liquids (ILs) and eutectic solvents, both of which are fluid …

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields

M Salanne - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are
difficult to characterize experimentally because of their intrinsic complexity (large number of …

Amphiphile meets amphiphile: Beyond the polar–apolar dualism in ionic liquid/alcohol mixtures

O Russina, A Sferrazza, R Caminiti… - The Journal of Physical …, 2014 - ACS Publications
The mesoscopic morphology of binary mixtures of ethylammonium nitrate (EAN), the protic
ionic liquid par excellence, and methanol is explored using neutron/X-ray diffraction and …

Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies

E Perlt, P Ray, A Hansen, F Malberg… - The Journal of …, 2018 - pubs.aip.org
Ionic liquids raise interesting but complicated questions for theoretical investigations due to
the fact that a number of different inter-molecular interactions, eg, hydrogen bonding, long …

How does lithium nitrate dissolve in a protic ionic liquid?

O Russina, R Caminiti, T Méndez-Morales… - Journal of Molecular …, 2015 - Elsevier
The structural properties of a mixture of ethylammonium nitrate (EAN), a protic ionic liquid,
and lithium nitrate are explored using X-ray diffraction and reverse Monte Carlo simulation …

Hydrogen bond in imidazolium based protic and aprotic ionic liquids

H Watanabe, H Doi, S Saito, M Matsugami… - Journal of Molecular …, 2016 - Elsevier
Liquid structure of bis-(trifluoromethanesulfonyl) amide TFSA− based protic and aprotic ionic
liquids composed of imidazolium [h 2 Im+], N-methylimidazolium [C 1 hIm+] and N, N' …