Abstract
Lewis acids are electron acceptors and Lewis bases electron donors. This means that the former, as we can see using BH3 as an example, have at least one low-lying unoccupied orbital. In the case of BH3, this is the LUMO, a pure boron p-orbital. The AMI-calculated energy for this MO is +1.6 eV, a low value for the LUMO of a neutral compound. This means that BH3 can accept an extra electron to form the BH3 radical anion. When the extra electron is added, the BH3 moiety becomes pyramidal, as shown in Sect. 2.5 (Walsh diagrams). We can now use ammonia as an example of a Lewis base. The lone pair HOMO has a calculated energy of-10.4 eV (i.e. a Koopmans’ theorem ionization potential of 10.4 eV). We can remove an electron from this MO to form the ammonia radical cation, which has a planar trigonal structure.
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© 1999 Springer-Verlag Berlin Heidelberg
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Clark, T., Koch, R. (1999). Reactions. In: The Chemist’s Electronic Book of Orbitals. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-13150-3_4
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DOI: https://doi.org/10.1007/978-3-662-13150-3_4
Publisher Name: Springer, Berlin, Heidelberg
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