Abstract
Three related topics that involve diatomic antibonding orbitals will be discussed in this chapter. Firstly, “increased-valence” structures for 4-electron 3-centre bonding units will be constructed by delocalizing a lone-pair electron on one atom into an antibonding orbital between a pair of adjacent atoms. Then the approximate 3-centre molecular orbital theory that arises from delocalization of lone-pair electrons into an antibonding orbital will be presented, with emphasis given to the relationship that exists between the “increased-valence” and the molecular orbital theory. Finally, by making particular use of the charge distribution for antibonding orbitals, expressions for atomic valencies will be deduced for “increased-valence” structures.
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Harcourt, R.D. (1982). Delocalization of Lone-Pair Electrons into Antibonding Orbitals: Increased-Valence Structures, Molecular Orbital Theory and Atomic Valencies. In: Qualitative Valence-Bond Descriptions of Electron-Rich Molecules: Pauling “3-Electron Bonds” and “Increased-Valence” Theory. Lecture Notes in Chemistry, vol 30. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93216-8_14
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DOI: https://doi.org/10.1007/978-3-642-93216-8_14
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