Search results for "ionic liquids"
showing 10 items of 186 documents
Pressure-responsive mesoscopic structures in room temperature ionic liquids
2015
Among the most spectacular peculiarities of room temperature ionic liquids, their mesoscopically segregated structural organization keeps on attracting attention, due to its major consequences for the bulk macroscopic properties. Herein we use molecular dynamics simulations to explore the nm-scale architecture in 1-octyl-3-methylimidazolium tetrafluoroborate, as a function of pressure. This study reveals an intriguing new feature: the mesoscopic segregation in ionic liquids is characterized by a high level of pressure-responsiveness, which progressively vanishes upon application of high enough pressure. These results are in agreement with recent X-ray scattering data and are interpreted in …
Characterization of isomeric 1,2,4-oxadiazolyl-N-methylpyridinium salts by electrospray ionization tandem mass spectrometry.
2007
The mass spectrometric behavior of 1,2,4-oxadiazolyl- N-methylpyridinium salts has been investigated. These substances are of current interest as perspective ionic liquids, compounds used as green solvents for synthesis, and for their catalytic properties. The studies have been developed through electrospray ionization tandem mass spectrometry (ESI-MS/MS) experiments. The obtained results demonstrate a ready distinction between the two isomeric classes, 3- N-methylpyridinium- and 5- N-methylpyridinium-1,2,4-oxadiazoles, is possible through ESI-MS/MS experiments. A deeper investigation on the principal fragmentation pathways of characteristic ions has been also developed.
Study of aromatic nucleophilic substitution with amines on nitrothiophenes in room-temperature ionic liquids: are the different effects on the behavi…
2006
The kinetics of the nucleophilic aromatic substitution of some 2-L-5-nitrothiophenes (para-like isomers) with three different amines (pyrrolidine, piperidine, and morpholine) were studied in three room-temperature ionic liquids ([bmim][BF4], [bmim][PF6], and [bm(2)im][BF4], where bmim = 1-butyl-3-methylimidazolium and bm(2)im = 1-butyl-2,3-dimethylimidazolium). To calculate thermodynamic parameters, a useful instrument to gain information concerning reagent-solvent interactions, the reaction was carried out over the temperature range 293-313 K. The reaction occurs faster in ionic liquids than in conventional solvents (methanol, benzene), a dependence of rate constants on amine concentration…
Natural eutectogels: sustainable catalytic systems for C–C bond formation reactions
2021
Natural eutecto gels were prepared combining properties of amino acids with the ones of deep eutectic solvents. Soft materials obtained were fully characterised determining the gel-sol transition temperatures and analysing mechanical and morphological features through rheological measurements and polarised optical microscopy. All eutecto gels were tested as catalytic reaction media for the enantioselective aldol reaction and, the best performing one was also used to carry out the Michael addition. In both cases, eutecto gels proved to have a great potential as sustainable reaction media, allowing to perform processes under mild conditions, obtaining excellent yields and, in some cases, also…
A study of the influence of ionic liquids properties on the Kemp elimination reaction
2009
The morpholino-induced elimination of 5-nitrobenzisoxazole into the relevant 2-cyano-4-nitrophenolate has been used as a sample reaction in order to investigate molecular properties of some room temperature ionic liquids. The kinetic study was carried out at 298 K by means of spectrophotometric measurements. Ionic liquids, which differ in both their cation and anion properties, were used as solvent systems. In particular, aliphatic (pyrrolidinium, piperidinium, and ammonium) and aromatic (imidazolium and pyridinium) ionic liquids were used. For aromatic cations, imidazolium ions having different hydrogen-bond donor ability or a different alkyl-chain length were taken into account. The anion…
Room temperature ionic liquids structure and its effect on the mononuclear rearrangement of heterocycles: an approach using thermodynamic parameters.
2006
The kinetics of the rearrangement of the Z-phenylhydrazone of 3-benzoyl-5-phenyl-1,2,4-oxadiazole (1) into the relevant 4-benzoylamino-2,5-diphenyl-1,2,3-triazole (2) induced by amines have been studied in five room-temperature ionic liquids (RTILs) at different temperatures. The kinetic data collected show that both cationic and anionic parts of RTILs significantly influence the reactivity of the title reaction. The calculated activation parameters allow us to advance hypotheses about the weak interactions operating in RTIL solutions.
Designing fluorous domains. Synthesis of a series of pyridinium salts bearing a perfluoroalkylated azole moiety
2006
The synthesis of a series of N-methylpyridinium salts bearing a perfluoroalkylated 1,2,4-oxadiazole or 1,2,4-triazole moiety is reported. X-Ray structures of representative perfluoroalkyl-triazolylpyridine (15) and methyl- pyridinium iodide salt (5a) are reported. Their crystal packing clearly shows segregation between the aromatic and parallel double layer fluorinated regions.
SINTESI E PROPRIETÁ DI SALI ORGANICI POLICATIONICI UTILIZZATI COME MEZZI DI REAZIONE
Solution and thermal behaviour of novel dicationic imidazolium ionic liquids
2013
A new class of functionalised dicationic ionic liquids, containing a central cationic unit capped by a basic functionality (imidazole), has been synthesised. These salts have been characterised in isotropic solution using proton and 2D-NMR spectroscopy, and their thermal stability has been studied by DSC and TGA. All these novel salts contain the 1-(1-imidazolylmethyl)-3,5-di{1-(3'-octylimidazolylmethyl)}-benzene cation as a defining structural motif. Salts of both singly and doubly charged anions were prepared and, in particular, the selected monoanions (Br(-), [BF4](-), or [NTf2](-)) differ in size, shape and hydrogen-bonding ability, whereas the dianions differ in the nature of the space…
Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors
2016
The in silico VolSurfþ descriptors, accounting for both cationic and anionic structural features of ionic liquids (ILs) were used to develop a Partial Least Squares (PLS) model able to establish a Quantitative Structure Property Relationship (QSPR) correlation with their solvatochromic dye Nile Red polarity. The PLS model allowed prediction of ENR values for 116 ILs providing an in silico ILs polarity database.