Electronegativity: Quantum observable

Authors

  • Mihai V. Putz

    Corresponding author
    1. Laboratory of Computational and Structural Physical Chemistry, Chemistry Department, West University of Timişoara, Str. Pestalozzi No.16, Timisoara, RO-300115, Romania
    • Laboratory of Computational and Structural Physical Chemistry, Chemistry Department, West University of Timişoara, Str. Pestalozzi No.16, Timisoara, RO-300115, Romania
    Search for more papers by this author

Abstract

The question whether electronegativity may be considered as quantum observable is responded in positive by a special ionization-affinity wave function construction within the fermionic Fock space for the valence state of a chemical system. The present approach consecrates electronegativity as the minus eigen-energy of the unperturbed occupied valence state involved in addition and release of electrons by atoms-in-molecules interactions. This way, the earlier crisis raised by Bergmann and Hinze concerning the assignment of chemical potential to electronegativity quantification is here solved in the favor of Parr density functional picture. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

Ancillary