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The Physics of Electron Localization and Delocalization

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Electron Localization-Delocalization Matrices

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 112))

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Abstract

In molecular chemistry, the terms localized/delocalized usually refer to electrons (atomic nuclei (exclusively protons) are rarely delocalized). Localized electrons are typically associated with a specific atom or pair of atoms; delocalized electrons are diffuse and spread out over several atomic nuclei. Typically, in an organic compound, electrons are localized in isolated bonds and delocalized over conjugated bonds.

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Notes

  1. 1.

    The first usage of this aphorism appeared in 1926 in an ad in the Chicago Tribune: “Attention salesmen, sales managers: location, location, location, close to Rogers Park.”

  2. 2.

    The localization is not always possible. A simple counterexample is a tetrahedron of hydrogen atoms with just one electron, H43+. In metals the localization can be performed but does not go all the way to the atom/bond level.

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Correspondence to Chérif F. Matta .

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Matta, C.F., Ayers, P.W., Cook, R. (2024). The Physics of Electron Localization and Delocalization. In: Electron Localization-Delocalization Matrices . Lecture Notes in Chemistry, vol 112. Springer, Cham. https://doi.org/10.1007/978-3-031-51434-0_2

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