Issue 2, 2008
From the journal:

Physical Chemistry Chemical Physics

Response to Comment on Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10.1039/b713702h†

Robert Vácha,a   Victoria Buch,b   Anne Milet,c   J. Paul Devlind  and  Pavel Jungwirth*a  

* Corresponding authors

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic and Center for Biomolecules and Complex Molecular Systems, 16610, Prague, Czech Republic
E-mail: Pavel.Jungwirth@uochb.cas.cz

b Fritz Haber Institute for Molecular Dynamics, Hebrew University, Jerusalem, Israel

c Département Chimie Moleculaire UMR-5250, Institut de Chimie Moleculaire de Grenoble FR-2607, CNRS, Université Joseph Fourier, BP53, Grenoble, France

d Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma, USA

Abstract

In this Response we define the sublayers of the water/vapor interface for clarity. We point out that the experimental evidence for surface enhancement of hydronium but not hydroxide is consistent across a broad concentration range and discuss the limitations of the molecular dynamics simulation at pH = 7 while noting that the computational results are only weakly dependent on concentration.

Graphical abstract: Response to Comment on Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10.1039/b713702h

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Article information

DOI
https://doi.org/10.1039/B714723F
Article type
Comment
Submitted
24 Sep 2007
Accepted
19 Oct 2007
First published
01 Nov 2007

Phys. Chem. Chem. Phys., 2008,10, 332-333

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Response to Comment on Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10.1039/b713702h

R. Vácha, V. Buch, A. Milet, J. P. Devlin and P. Jungwirth, Phys. Chem. Chem. Phys., 2008, 10, 332 DOI: 10.1039/B714723F

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