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The Physics of Electron Localization and Delocalization

  • Chérif F. Matta,
  • Paul W. Ayers,
  • Ronald Cook

摘要

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.