Effects of H+ and OH− on H2O as probed by the 1-propanol probing methodology: differential thermodynamic approach
文献信息
Yoshikata Koga, Kumiko Miki, Keiko Nishikawa
We applied what we call the “1-propanol (1P) probing methodology” on the effects of H+ and OH− on liquid H2O. We found that H+ is an amphiphile with a modest hydrophobic and an equally modest hydrophilic contribution. Its hydration number is 2 ± 1, suggesting that the equilibrium hydration structure is like the Zundel type (H5O2+). OH−, on the other hand, has a large hydration shell with 12 ± 3 H2O molecules and acts as a hydrophobe-like hydration center. In other words, it forms a hydration shell around itself, but as the probing 1P increases and the available H2O decreases, it exerts its influence over a longer range and reduces the hydrogen-bond probability of bulk H2O away from hydration shells, just as a hydrophobe does to bulk H2O.
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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.











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