Journal of Physical Chemistry, Vol.99, No.47, 17130-17133, 1995
Relative Bond Formation Energies of Isoelectronic Reactants
An electrostatic potential model for changes in energy associated with addition of localized positive charge is extended to transfer of nuclear charge among nuclei. This model is applied to relative bond formation energies (RBFEs) of isoelectronic reactants. Predicted RBFEs are approximately additive functions of product-reactant or "chemical" shifts in electrostatic potentials at corresponding nuclei in isoelectronic reactants.
Keywords:GAS-PHASE ACIDITIES;PROTON AFFINITIES;ELECTROSTATIC POTENTIALS;BINDING-ENERGIES;MOLECULES;ATOMS;RELAXATION;BASICITIES;MODEL;ACIDS