Standard Partial Molar Volumes of Electrolytes and Ions in Nonaqueous Solvents

Marcus, Yizhak; Hefter, Glenn

doi:10.1021/cr030047d

Cited by 236 publications

(212 citation statements)

References 188 publications

(417 reference statements)

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“…The lowest binding energies for ion-water and ion-methanol complexes are observed at the same distances. This position of the energy minimum is shifted to larger distance as the ionic radius increases (Marcus & Hefter, 2004) As might be expected the energy minimum becomes deeper when the charge density increases. The binding energy of Na + and Ca 2+ ions with water is about 3% lower than that with methanol.…”

Section: Effective Pair Potentialssupporting

confidence: 56%

“…Most of them, about 80%, has only one H-bonded neighbour and only 20%of the molecules form two H-bonds with their neighbours in the second shell. The radii of Ca 2+ and Na + ions in crystal, 0.096 and 0.102 nm (Marcus & Hefter, 2004) and their shells, 0.34 and 0.32 nm respectively (see Table 3), are similar. The first shell of Ca 2+ consists however of 10 water molecules.…”

Section: H-bonds Of the Solvent Molecules In The First Coordination Smentioning

confidence: 79%

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MD Simulation of the Ion Solvation in Methanol-Water Mixtures

Hawlicka¹,

Rybicki²

2012

Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy

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Section: Effective Pair Potentialssupporting

confidence: 56%

Section: H-bonds Of the Solvent Molecules In The First Coordination Smentioning

confidence: 79%

MD Simulation of the Ion Solvation in Methanol-Water Mixtures

Hawlicka¹,

Rybicki²

2012

Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy

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“…An exception is for volumes (Y = V) where differences in the intrinsic sizes of the ions justify a slightly unequal split [8,10]. Note that it is only necessary to use the assumption, whatever it may be, to estimate the value of ∆ t Y°for just one ion; all others can then be obtained in a thermodynamically valid manner by appropriate combinations of measurable whole salt quantities (cf.…”

Section: Ionic Transfer Thermodynamicsmentioning

confidence: 99%

“…This is because they are composite quantities whose magnitudes are determined by more than one effect. For example, Marcus and Hefter [8] have proposed four distinct contributions to the molar volumes of ions in solution and hence to ∆ t V°(ion, w → s): intrinsic size, electrostriction, short-range covalent (coordination) effects and solvent-structural effects. Similar, and equally complex, schemes have been proposed for heat capacities [17].…”

Section: Other Thermodynamic Quantitiesmentioning

confidence: 99%

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Ion solvation in aqueous–organic mixtures

Hefter

2005

Pure and Applied Chemistry

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Abstract:The importance of ion solvation in determining the properties of electrolyte solutions in aqueous-organic solvent mixtures is discussed. Solubility measurements are shown to be particularly useful for determining the Gibbs energies of transfer of ions between solvents, which reflect differences in the overall solvation of the ions in different solvent mixtures. Solubility measurements can also be used to determine the other thermodynamic parameters of transfer, but such quantities are usually better obtained by more direct methods. The inadequacy of current theories of ion solvation to quantitatively account for the thermodynamics of ion transfer is discussed by reference to measurements on some simple model systems. Although donor/acceptor interactions can explain many of the observed effects between pure solvents, the situation is more complex in aqueous-organic mixtures because selective solvation and even solvent-solvent interactions may become significant. This is illustrated by consideration of ion transfer from water to water + t-butanol solutions, where spectacular effects are observed in the enthalpies and entropies and especially in the heat capacities and volumes.

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Diffusion Ordered NMR Spectroscopy ( DOSY )

Macchioni

Ciancaleoni

Zuccaccia

et al. 2012

Supramolecular Chemistry

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This chapter deals with the applications of diffusion NMR spectroscopy to investigate supramolecular compounds in solution. It is organized in three main sections: (i) brief description of the basic concepts underlying self‐diffusion in solution and measurement of the self‐diffusion translational coefficient ( D t ) by NMR experiments; (ii) critical discussion on the determination of accurate hydrodynamic dimensions (molecular weights) of supramolecular compounds by D t through the Stokes–Einstein equation; (iii) deduction of thermodynamic self‐aggregation parameters using models of indefinite association. Emphasis is given to applications of diffusion NMR spectroscopy to supramolecular chemistry rather than to technical and theoretical aspects. Efforts are made to introduce new, potentially difficult concepts with suitable practical examples in order to facilitate the understanding to nonspecialist readers.

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Standard Partial Molar Volumes of Electrolytes and Ions in Nonaqueous Solvents

Abstract: Contents 1. Introduction 3405 1.1. Historical Background 3406 1.2. Scope and Coverage 3408 1.3. Applications of Molar Volumes of Electrolytes and Ions 3408 2. Methods 3409 2.1. General Comments 3409 2.

Cited by 236 publications

References 188 publications

MD Simulation of the Ion Solvation in Methanol-Water Mixtures

MD Simulation of the Ion Solvation in Methanol-Water Mixtures

Ion solvation in aqueous–organic mixtures

Diffusion Ordered NMR Spectroscopy ( DOSY )

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