Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory - Ong, Shyue Ping; Ceder, Gerbrand (Electrochimica acta, 2010)
Keywords: Anions; Anodic; Atomic and molecular physics; Cations; Density functional theory; Electrochemical stability; Electron affinities; Exact sciences and technology; Functional group; Functional groups; Ionic liquids; Ionization; Ionization energies; Ionization potentials, electron affinities, molecular core binding energy; Mathematical analysis; Molecular properties and interactions with photons; Physics; Properties of molecules and molecular ions; Ionic liquids; Density functional theory; Ionization energies; Electron affinities; Electrochemical stability; Functional group; Stability; Electron affinity; Theoretical study; Hexafluophosphates; Acidity; Tetrafluoborates; Quaternary phosphonium compound; Ionic liquid; Quaternary ammonium compound; Density functional method; Electrolytes; Ionization potential; Gas phase; Chemical properties