Gibbs energy of solvation of organic ions in aqueous and dimethyl sulfoxide solutions

Literature Information

Publication Date 2002-03-22
DOI 10.1039/B109595A
Impact Factor 3.676
Authors

Josefredo R. Pliego Jr, José M. Riveros


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Abstract

The Gibbs energy of solvation of several ions in water and dimethyl sulfoxide (DMSO) solutions was obtained through the use of thermodynamic equations relating ΔGsolv* of the ion with gas phase basicity, pKa, ΔGsolv* of neutral species and the Gibbs energy of solvation of the proton. We have used the most accurate and recent values for these properties, and this report provides 56 Gibbs energy of solvation values in aqueous solution and 30 in DMSO solution. Our results support the general view that anions are much better solvated in aqueous solution than in DMSO. An important example is the hydroxide ion for which the Gibbs energy of transfer from water to DMSO is 26 kcal mol−1. The majority of anions have a Gibbs energy of transfer in the range 10 to 15 kcal mol−1. In the case of cations, DMSO has a larger solvation ability but the difference in the Gibbs energy of solvation between water and DMSO is not greater than 5 kcal mol−1. The present data can be very useful for the development of continuum solvation models.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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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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