Reply to the ‘Comment on “An explanation for the charge on water's surface”’ by R. Vácha, D. Horinek, R. Buchner, B. Winter and P. Jungwirth, Phys. Chem. Chem. Phys., 2010, 12, DOI: 10.1039/c001492c
Literature Information
Angus Gray-Weale, James K. Beattie
The claim that the behaviour of the fluoride ion at aqueous hydrophobic interfaces contradicts the fluctuation force model described in our paper is dismissed on four grounds. (1) The dielectric decrement of NaF solutions remains uncertain. (2) Even if it were as large as that of NaOH, this would not disprove our theory (as explained in our paper), partly because there is no reason to assume that it interacts with surrounding water molecules in the same way as does the hydroxide ion, despite their having similar ionic radii. In fact, experimental evidence shows the solvation structures around the two ions are quite different, a difference not captured by simulations of the type used by Vácha et al. (3) There is no experimental evidence that fluoride is not adsorbed at the interface at millimolar concentrations. (4) The models and methods of calculation used by Vácha et al. in their comment appear to be flawed, and this casts some doubt on the rather firm conclusions drawn from similar simulations in previous works.
Recommended Journals
Related Literature
Why does the Y326I mutant of monoamine oxidase B decompose an endogenous amphetamine at a slower rate than the wild type enzyme? Reaction step elucidated by multiscale molecular simulations
Urška Jug, Janez Mavri, Jernej Stare
DOI: 10.1039/C7CP07069A
The last link of the x-aminobutyric acid series: the five conformers of β-aminobutyric acid
I. León, I. Peña, C. Cabezas, E. R. Alonso, J. L. Alonso
DOI: 10.1039/C8CP01734D
Three dimensional porous SiC for lithium polysulfide trapping
Fen Li
DOI: 10.1039/C7CP07113B
Anisotropic and amphoteric characteristics of diverse carbenes
D. ChangMo Yang, Jenica Marie L. Madridejos, Amir Hajibabaei, Chunggi Baig, Kwang S. Kim
DOI: 10.1039/C8CP00457A
Experimental strategies for 13C–15N dipolar NMR spectroscopy in liquid crystals at the natural isotopic abundance
Lukas Jackalin, Boris B. Kharkov, Andrei V. Komolkin
DOI: 10.1039/C8CP04161J
Ordering of lipid membranes altered by boron nitride nanosheets
Yonghui Zhang, Zhen Li, Chun Chan, Jiale Ma, Chunyi Zhi, Xiaolin Cheng
DOI: 10.1039/C7CP07136A
Synthesis and self-assembly behavior of polyhedral oligomeric silsesquioxane-based triblock copolymers in selective solvents by dissipative particle dynamics simulation
Yun Jin, Danyi Guo, Bo Li, Shouping Xu, Jiang Cheng, Li Li, Xiufang Wen, Pihui Pi
DOI: 10.1039/C7CP06020C
Identification and composition of conformational isomers and their cations in crotonaldehyde by VUV-MATI spectroscopy
Sung Man Park, Hong Lae Kim, Chan Ho Kwon
DOI: 10.1039/C8CP05577G
You might also like
Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?
6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...
What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?
(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...
What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?
When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...
How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?
1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...
What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?
The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...
What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?
Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...
What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?
1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...
Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?
The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...
Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?
Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...
How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?
1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...
Source Journal
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.














