The Journal of Chemical Physics · 1959 · 110 citations · 4 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryQuantum ChemistryAb Initio MethodsCrystal ChemistryCrystallographyHalogen ChemistryInteratomic PotentialsMolecular Orbital TheoryAb Initio CalculationsAlkali Metal ChemistryCompressibilityCompressibility EffectsCrystal Lattice EnergeticsLattice EnergyThermochemical DataThermochemical Modeling
The overlap repulsion parameters that occur in the Born-Mayer treatment of lattice energies have been re-evaluated for the alkali halides from recent compressibility data. With these parameters the lattice energies of the alkali halides were calculated. The lattice energies were combined with thermochemical data to calculate the electron affinities of the halogens. The values obtained were: F 80.2; Cl 85.0; Br 79.5; and I 72.5 kcal/mole.
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