Author： Zasukha V. Shpak A. Trachevskii V. Urubkova E.
Publisher： Springer Publishing Company
ISSN： 0022-4766
Source： Journal of Structural Chemistry, Vol.46, Iss.3, 2005-05, pp. : 393-403
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Abstract
Group-theoretical analysis and molecular orbital methods were used to obtain (in analytical form) the electronic structure and reactivity of the PO 43− , SO 42− and P2O 74− , S2O 72− anions. The reactivity of the anions is dictated by the availability of lone electron pairs on the top quasidegenerate MOs in the form of linear combinations of group orbitals from atomic orbitals (AOs) of peripheral oxygen atoms for PO 43− , SO 42− and the central (bridging) atom for P2O 74− , S2O 72− . These electron pairs are responsible for the donor-acceptor interactions during complexation, clustering, and other (addition, substitution, etc.) reactions.
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