Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 122, Issue 21, Pages 5132-5137Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja9928677
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Configuration energies (CE) of the d-block elements (Croups 3-11) are electronegativities evaluated from the formula CE = (p epsilon(s) + q epsilon(d))/(p + q). epsilon(s) and epsilon(d) are the multiplet-averaged one-electron energies of the s- and d-orbitals of atoms which are in the lowest energy of the configurations s(n)d(m) and s(n-1)d(m+1), and whose highest known oxidation state is (p + q). The orbital energies an obtained from spectroscopic data. Configuration energies generally increase across a row, with the highest values occurring at nickel, silver, and gold; all are lower than the CE of silicon, the least electronegative nonmetal (except for gold which has a CE equal to that of silicon). Down the groups configuration energies invariably decrease from the first row to the second row; for Groups 7-12, the third-row element has a CE higher than that of the second-row element, due to increasing relativistic stabilization of the 6s orbitals.
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