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Neat Water-Vapor Interface: Proton Continuum and the Nonresonant Background
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
Univ Calif San Diego, Dept Chem & Biochem, Mat Sci & Engn, La Jolla, CA 92093 USA..
Univ Calif San Diego, Dept Chem & Biochem, Mat Sci & Engn, La Jolla, CA 92093 USA.;Univ Calif San Diego, San Diego Supercomp Ctr, La Jolla, CA 92093 USA..ORCID iD: 0000-0002-4451-1203
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
2018 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 9, no 23, p. 6744-6749Article in journal (Refereed) Published
Abstract [en]

Whether the surface of neat water is "acidic" or "basic" remains an active and controversial field of research. Most of the experimental evidence supporting the preferential adsorption of H3O+ ions stems from nonlinear optical spectroscopy methods typically carried out at extreme pH conditions (pH < 1). Here, we use vibrational sum frequency spectroscopy (VSFS) to target the "proton continuum", an unexplored frequency range characteristic of hydrated protons and hydroxide ions. The VSFS spectra of neat water show a broad and nonzero signal intensity between 1700 and 3000 cm-' in the three different polarization combinations examined. By comparing the SF response of water with that from dilute HCl and NaOH aqueous solutions, we conclude the intensity does not originate from either adsorbed H3O+ or OH- ions. Contributions from the nonresonant background are then critically considered by comparing the experimental results with many-body molecular dynamics (MB-MD) simulated spectra.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2018. Vol. 9, no 23, p. 6744-6749
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-240731DOI: 10.1021/acs.jpclett.8b03069ISI: 000452929200012PubMedID: 30407831Scopus ID: 2-s2.0-85058092810OAI: oai:DiVA.org:kth-240731DiVA, id: diva2:1276854
Note

QC 20180109

Available from: 2019-01-09 Created: 2019-01-09 Last updated: 2019-01-09Bibliographically approved

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Tyrode, Eric

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