Published in ChemistryOpen
Fully biocompatible ionic liquids based on aminoacid anions are possible candidates for CO2 absorption and storage. Accurate, ab‐initio computations provide indications about the mechanisms of the reaction of CO2 with the aminoacid anions and a guide for the overall efficiency of the CO2 absorption process.
The increasing interest in organic electrochemical transistors (OECTs) for next-generation bioelectronic applications motivates the design of novel conjugated polymers with good electronic and ionic transport. Many conjugated polymers developed for organic field-effect transistors (OFETs) exhibit high charge carrier mobilities but they are not suit...
Published in Polymers
Chromate free corrosion inhibitors are searched for to mitigate the economic loss caused by mid-steel corrosion. Here, we show metal-free organic inhibitors having free coumarate anions that can be used either as direct corrosion inhibitors or incorporated into a polymer coating obtained by UV-curing. Four different ionic liquid monomers and polyme...
Published in International journal of molecular sciences
Solubility, bioavailability, permeation, polymorphism, and stability concerns associated to solid-state pharmaceuticals demand for effective solutions. To overcome some of these drawbacks, ionic liquids (ILs) have been investigated as solvents, reagents, and anti-solvents in the synthesis and crystallization of active pharmaceutical ingredients (AP...
Published in Materials (Basel, Switzerland)
The results of studies on the synthesis and characterization of conductive polymer composite materials designed as potential separators for lithium ion batteries are presented. The conductive polymer composites were prepared from UV-cured poly(siloxane-urethanes)s (PSURs) containing poly(ethylene oxide) (PEO) segments and modified with lithium salt...
Published in Chemistry (Weinheim an der Bergstrasse, Germany)
Alkylating reagents based on thioimidazolium ionic liquids were synthesized and the influence of the anion on the alkylation reaction mechanism explored in detail using both experimental and computational methods. Thioimidazolium cations transfer alkyl substituents to nucleophiles, however the reaction rate was highly dependent on anion identity, d...
Published in Theoretical Foundations of Chemical Engineering
AbstractThis study mathematically models the solubility of hydrogen sulfide in ten ionic liquids including 1-(2-hydroxyethyl)-3-imidazolium [Hoemim]+ with three different anions, 1-ethyl-3-methylimidazolium [emim]+ with two different anions, 1-hexyl-3-methylimidazolium [hmim]+ with two different anions, and 1-butyl-3-methylimidazolium [bmim]+ with ...
Published in Nanomaterials (Basel, Switzerland)
In this work, we investigate the effect of the cation structure on the structure and dynamics of the electrode-electrolyte interface using molecular dynamics simulations. A constant potential method is used to capture the behaviour of 1-ethyl-3-methylimidazolium bis (trifluoromethane)sulfonimide ([C2mim][NTf2]) and butyltrimethylammonium bis(triflu...
The structure effect on the role of different ionic liquids (ILs) as simultaneous supporting electrolyte and co-catalyst for CO2 electroreduction in the presence of a model molecular catalyst [Re(bpy)(CO)3Cl] has not been addressed yet. In particular, we varied the nature of the cation, anion and cation alkyl chain by a choice of 5 different ILs, i...
Published in Molecules
We explore the structure of two ionic liquids based on the choline cation and the monoanion of the maleic acid. We consider two isomers of the anion (H-maleate, the cis -isomer and H-fumarate, the trans -isomer) having different physical chemical properties. H-maleate assumes a closed structure and forms a strong intramolecular hydrogen bond wherea...
