Topic
Hexafluorophosphate
About: Hexafluorophosphate is a research topic. Over the lifetime, 4347 publications have been published within this topic receiving 143945 citations. The topic is also known as: [PF6](-) & PF6(-).
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TL;DR: The partitioning of simple substituted-benzene derivatives between water and the room temperature ionic liquid, butylmethylimidazolium hexafluorophosphate, is based on the solutes' charged state or relative hydrophobicity as discussed by the authors.
2,058 citations
TL;DR: As the length of the alkyl chain increases, the nonpolar domains become larger and more connected and cause swelling of the ionic network, in a manner analogous to systems exhibiting microphase separation.
Abstract: Nanometer-scale structuring in room-temperature ionic liquids is observed using molecular simulation. The ionic liquids studied belong to the 1-alkyl-3-methylimidazolium family with hexafluorophosphate or with bis(trifluoromethanesulfonyl)amide as the anions, [Cnmim][PF6] or [Cnmim][(CF3SO2)2N], respectively. They were represented, for the first time in a simulation study focusing on long-range structures, by an all-atom force field of the AMBER/OPLS_AA family containing parameters developed specifically for these compounds. For ionic liquids with alkyl side chains longer than or equal to C4, aggregation of the alkyl chains in nonpolar domains is observed. These domains permeate a tridimensional network of ionic channels formed by anions and by the imidazolium rings of the cations. The nanostructures can be visualized in a conspicuous way simply by color coding the two types of domains (in this work, we chose red = polar and green = nonpolar). As the length of the alkyl chain increases, the nonpolar domai...
1,668 citations
TL;DR: In this paper, the authors present density as a function of temperature, melting temperatures, glass transition temperatures, decomposition temperatures, and heat capacities for 13 ionic liquids, including 1-butyl-3-methylimidazolium trifluoromethanesulfonate.
Abstract: Ionic liquids (ILs) are salts that are liquid at low temperatures, usually including the region around room temperature. They are under intense investigation, especially as replacement solvents for reactions and separations, since they exhibit negligible vapor pressure and would not, therefore, contribute to air pollution. Clearly, basic thermophysical properties are vital for design and evaluation for these applications. We present density as a function of temperature, melting temperatures, glass-transition temperatures, decomposition temperatures, and heat capacities as a function of temperature for a series of 13 of the popular imidazolium-based ILs. The ionic liquids investigated here are 1-butyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium hexafluorophosphate, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazolium bromide, 1-butyl-3-methylimidazolium dicyanamide, 1-butyl-3-methylimidazolium trifluoromethanesulfonate, 1-butyl-3-methylimidazolium tris(trifluoromethylsul...
1,438 citations
TL;DR: Experimental and molecular modeling studies are conducted to investigate the underlying mechanisms for the high solubility of CO2 in imidazolium-based ionic liquids and it is found that the bis(trifluoromethylsulfonyl)imide anion has the greatest affinity for CO2, while there is little difference in CO2solubility between ionsic liquids having the tetrafluoroborate or hexafluorophosphate anion.
Abstract: Experimental and molecular modeling studies are conducted to investigate the underlying mechanisms for the high solubility of CO2 in imidazolium-based ionic liquids. CO2 absorption isotherms at 10, 25, and 50 °C are reported for six different ionic liquids formed by pairing three different anions with two cations that differ only in the nature of the “acidic” site at the 2-position on the imidazolium ring. Molecular dynamics simulations of these two cations paired with hexafluorophosphate in the pure state and mixed with CO2 are also described. Both the experimental and the simulation results indicate that the anion has the greatest impact on the solubility of CO2. Experimentally, it is found that the bis(trifluoromethylsulfonyl)imide anion has the greatest affinity for CO2, while there is little difference in CO2 solubility between ionic liquids having the tetrafluoroborate or hexafluorophosphate anion. The simulations show strong organization of CO2 about hexafluorophosphate anions, but only small diffe...
1,352 citations
TL;DR: π-Conjugated polymers that are electrochemically cycled in ionic liquids have enhanced lifetimes without failure and fast cycle switching speeds and anions such as tetrafluoroborate or hexafluorophosphate showed negligible loss in electroactivity.
Abstract: π-Conjugated polymers that are electrochemically cycled in ionic liquids have enhanced lifetimes without failure (up to 1 million cycles) and fast cycle switching speeds (100 ms). We report results for electrochemical mechanical actuators, electrochromic windows, and numeric displays made from three types of π-conjugated polymers: polyaniline, polypyrrole, and polythiophene. Experiments were performed under ambient conditions, yet the polymers showed negligible loss in electroactivity. These performance advantages were obtained by using environmentally stable, room-temperature ionic liquids composed of 1-butyl-3-methyl imidazolium cations together with anions such as tetrafluoroborate or hexafluorophosphate.
1,092 citations