Abstract
The protonic counterpart of electronegativity which we recently proposed as an organizing principle for. gas-phase acidity and basicity is presented here in terms of a hardness matrix related to second derivatives of the energy. Energy differences are expressed in terms of electronic and/or protonic chemical potential means.
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In Eqs. (5a,b) of Ref.(1), the quantity IE(H) should be replaced by IE(H) + 1/2Do (H2) if E(H+) is taken, as we did, relative to that of 1/2H2.
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© 1986 D. Reidel Publishing Company, Dordrecht, Holland
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Lohr, L.L. (1986). The Protonic Counterpart of Electronegativity and its Relationship to Electronic and Protonic Hardness. In: Smith, V.H., Schaefer, H.F., Morokuma, K. (eds) Applied Quantum Chemistry. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4746-7_14
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DOI: https://doi.org/10.1007/978-94-009-4746-7_14
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