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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
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