Effects of constituent ions of a phosphonium-based ionic liquid on molecular organization of H2O as probed by 1-propanol: tetrabutylphosphonium and trifluoroacetate ions
文献信息
Takeshi Morita, Kumiko Miki, Ayako Nitta, Hiroyo Ohgi, Peter Westh
Aqueous solutions of tetrabutylphosphonium trifluoroacetate, [P4444]CF3COO, exhibit a liquid–liquid phase transition with a lower critical solution temperature. Herein, we characterized the constituent ions, [P4444]+ and CF3COO−, in terms of their effects on the molecular organization of H2O on the basis of 1-propanol probing methodology devised by Koga et al. The resulting characterization of the hydrophobicity/hydrophilicity is displayed on a two-dimensional map together with previous results, for a total of four cations and nine anions of typical ionic liquid (IL) constituents. The results indicate that [P4444]+ is the most significant amphiphile with strong hydrophobic and equally strong hydrophilic contributions among the group of constituent cations of ILs studied so far. The hydration number for [P4444]+ was evaluated to be nH = 72, which is three times larger than that of a typical imidazolium-based cation, [C4mim]+. Self-aggregation of [P4444]+ was found to occur in an aqueous solution of [P4444]CF3COO above 0.0080 mole fraction of the IL.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














