On an Ionic Approximation to Chemical Bonding

نویسنده

  • G. Van Hooydonk
چکیده

It is shown how previously reported bond energy equations (Van Hooydonk, 1973) can be re­ generated starting from the assumptions (i) that the valence-orbital energy of an element in a bond can be expressed as a function of its occupancy number (Iczkowski-Margrave, 1961) and (ii) that the potential around an atom in a bond vanishes as soon as its valence orbital is doubly occupied (Ferreira, 1963). The results are consistent with an ionic approximation to chemical bonding. A comparison of the approximations involved in the present theory with those in a semi-empirical LCAO —MO method (Klopman, 1964) is advanced.

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تاریخ انتشار 2013