ArticlePhysical chemistry chemical physics : PCCP2018
Shifted equilibria of organic acids and bases in the aqueous surface region.
Article in Physical chemistry chemical physics : PCCP, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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13 citing papers in PubMed, 48 citations in OpenAlex.
- Core-Level Photoelectron Angular Distributions from Bulk-Solvated to Surface-Active Aqueous Potassium Carboxylate Salts.The journal of physical chemistry. B · 2025Article
- Changes in Protonation State of Atmospherically Relevant α-Hydroxyacids at the Air-Water Interface Measured by Surface Tension and IR-RAS.The journal of physical chemistry. A · 2025Article
- Influence of Surfactants with Differently Charged Headgroups on the Surface Propensity of Bromide.The journal of physical chemistry. A · 2025Article
- Direct observation of the complex S(IV) equilibria at the liquid-vapor interface.Nature communications · 2024Article
- Determining the Surface pThe journal of physical chemistry. C, Nanomaterials and interfaces · 2024Article
- Surfaces of Atmospheric Droplet Models Probed with Synchrotron XPS on a Liquid Microjet.Accounts of chemical research · 2024Article
- Inversion model for extracting chemically resolved depth profiles across liquid interfaces of various configurations from XPS data: PROPHESY.Journal of synchrotron radiation · 2023Article
- Quantitative alignment parameter estimation for analyzing X-ray photoelectron spectra.Journal of synchrotron radiation · 2023Article
- Solvation, Surface Propensity, and Chemical Reactions of Solutes at Atmospheric Liquid-Vapor Interfaces.Accounts of chemical research · 2022Article
- Superficial Tale of Two Functional Groups: On the Surface Propensity of Aqueous Carboxylic Acids, Alkyl Amines, and Amino Acids.Accounts of chemical research · 2022Review
- Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface.Physical chemistry chemical physics : PCCP · 2022Article
- Charge State Dependence of Amino Acid Propensity at Water Surface: Mechanisms Elucidated by Molecular Dynamics Simulations.The journal of physical chemistry. A · 2021Article
- Insights into the behavior of nonanoic acid and its conjugate base at the air/water interface through a combined experimental and theoretical approach.Chemical science · 2020Article
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Authors and funding
12 authors at 3 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Acid-base equilibria of carboxylic acids and alkyl amines in the aqueous surface region were studied using surface-sensitive X-ray photoelectron spectroscopy and molecular dynamics simulations. Solutions of these organic compounds were examined as a function of pH, concentration and chain length to investigate the distribution of acid and base form in the surface region as compared to the aqueous bulk. Results from these experiments show that the neutral forms of the studied acid-base pairs are strongly enriched in the aqueous surface region. Moreover, we show that for species with at least four carbon atoms in their alkyl-chain, their charged forms are also found to be abundant in the surface region. Using a combination of XPS and MD results, a model is proposed that effectively describes the surface composition. Resulting absolute surface concentration estimations show clearly that the total organic mole fractions in the surface region change drastically as a function of solution pH. The origin of the observed surface phenomena, hydronium/hydroxide concentrations in the aqueous surface region and why standard chemical equations, used to describe equilibria in dilute bulk solution are not valid in the aqueous surface region, are discussed in detail. The reported results are of considerable importance especially for the detailed understanding of properties of small aqueous droplets that can be found in the atmosphere.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.