Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide

Article Abstract:

The relative solvation free energies of ions and ion-solvent clusters in methanol, acetonitrile and dimethyl sulfoxide are determined by using a combination of gas-phase free energies of formation, solution-phase reduction potentials and acid dissociation constants and gas-phase clustering free energies. The absolute proton solvation free energies are used to assign absolute values for the normal hydrogen electrode potential and the solvation free energies of other single ions in the solvents.

Hydrogen, Solvation, Protons

---

Interplay of intrinsic, environmental, and dynamic effects in tuning the EPR parameters of nitroxides: Further insights from an integrated computational approach

Article Abstract:

A study report on the role of stereoelectronic, environmental, and short-time dynamic effects in tuning the hyperfine and gyromagnetic tensors of a prototypical nitroxide spin probe is presented.

Nitrogen Oxide Gases, Nitrogen oxides, Nitrogen oxide, Spin labeling

---

Similar abstracts:

• Abstracts: Inter-and intramolecular hydrogen bonding in phenol derivatives: A model system for poly-L-tyrosine. The ultrafast dynamics of hydrogen-bonded liquids: molecular structure-dependent occurrence of normal Arrhenius or fractional Stokes-Einstein-Debye rotational diffusive relaxation
• Abstracts: Approximate analytical expressions for the electrical potential between two planar, cylindrical, and spherical surfaces.
• Abstracts: Calculations on the electronic excited states of ureas and oligoureas. Significant conformational changes associated with molecular transport in a crystalline solid
• Abstracts: Visible light activity and photoelectrochemical properties of nitrogen-doped TiO2. Effect of added free polymer on the swelling of neutral microgels particles: A thermodynamic approach
• Abstracts: Spectroscopy and transport of the triplet exciton in a terthiophene end-capped poly(phenylene ethylene). Intrachain triplet energy transfer in platinum-acetylide copolymers

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.