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Association constants for the NaSO4− ion pair in concentrated cesium chloride solutions
Talanta, 1999 Values of the association constant, beta(NaSO(4)(-)), for the weak ion-pair formed by sodium and sulfate ions in aqueous solution have been determined at 25 degrees C by high precision sodium ion-selective electrode potentiometry in solutions of ionic strength ranging from 0.50 to 7.00 M in CsCl media and in 1.00 M Me(4)NCl. The data in CsCl media were
Capewell, S.G., Hefter, G., May, P.M.
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Ion-pair association of substituted phenolates with K+ in octanol
Environmental Toxicology and Chemistry, 1998Abstract The speciation, environmental distribution, and ultimate fate of phenolic compounds, a class of hydrophobic ionizable organic compounds, is influenced by both their hydrophobic and electrostatic characteristics. In this study, electrical conductance measurements were employed to characterize the ion-pair association properties ...
Timothy J. Strathmann, Chad T. Jafvert
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Water-Mediated Association Provides an Ion Pair Receptor
Journal of the American Chemical Society, 2003In this paper, we report on the formation and properties of a water-stabilized dimer comprising calix[4]arene-guanosine conjugate cG 2. The 1,3-alternate calixarene cG 2 was poorly soluble in dry CDCl(3) and gave an ill-resolved NMR spectrum, consistent with its nonspecific aggregation. The compound was much more soluble in water-saturated CDCl(3). Two
Frank W, Kotch +6 more
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Association of ion pairs in clusters of dielectric solvents
The Journal of Physical Chemistry, 1992The association of ion pairs in clusters is studied in an extended Bjerrum model using both a Coulombic potential and a potential of mean force calculated from molecular dynamics simulations. Association is found to increase rapidly as the cluster size decreases until a critical size is reached, below which the ions are in the paired state. For NaCl in
Guy Makov, Abraham Nitzan
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Ion-Pair Association Constant for LiOH in Supercritical Water
Journal of Chemical & Engineering Data, 2011The equilibrium ion-pair association constant for LiOH in supercritical water is determined by means of molecular dynamics (MD) simulations via the potential of mean force calculation. Simulations are performed along three supercritical isotherms of (673.15, 773.15, and 873.15) K, covering a density range from (0.05 to 0.8) g·cm–3.
Andriy Plugatyr +2 more
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Association constants for ion pairs
Journal of Solution Chemistry, 1986The isodielectric rule is a corollary of the theoretical equation KΛ=(4πNa3/3000) exp (e2/aDkT) derived for primitive model electrolytes. Real systems, especially those involving small ions in structured solvents, do not follow the rule because energies of short range system-specific interactions contribute to Δg, the difference in free energy between ...
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Na+–Cl− ion pair association in supercritical water
The Journal of Chemical Physics, 1995Molecular dynamics simulations of supercritical electrolyte solutions with three different ion–water models are performed to study the anion–cation potential of mean force of an infinitely dilute aqueous NaCl solution in the vicinity of the solvent’s critical point.
A. A. Chialvo +4 more
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Ion pair association in isodielectric mixtures at 25�C
Journal of Solution Chemistry, 1974Conductance measurements of potassium perchlorate and iodide have been carried out on the following mixtures: methanol-ethylene carbonate, acetone-ethylene carbonate, acetonitrile-ethylene carbonate, sulfolane-ethylene carbonate, isodielectric with water; and in benzene-sulfolane, benzene-acetonitrile, ethanol-sulfolane, isodielectric with methanol ...
Alessandro D'Aprano +2 more
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The Journal of Organic Chemistry, 2012
The structures of few ion pairs are known with any degree of certainty. In this work, the structures and energies of attraction in acetonitrile of nitrobenzene and its anion radical and dianion with a series of tetraalkylammonium ions of increasing size were computed by density functional theory. The resulting associated molecular pairs all exhibit the
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The structures of few ion pairs are known with any degree of certainty. In this work, the structures and energies of attraction in acetonitrile of nitrobenzene and its anion radical and dianion with a series of tetraalkylammonium ions of increasing size were computed by density functional theory. The resulting associated molecular pairs all exhibit the
openaire +2 more sources