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Keywords:

  • bonding mechanism;
  • chemical bond components;
  • direct (through-space) bonding;
  • energies of indirect/direct bonds;
  • indirect (through-bridge) interaction;
  • three-orbital model

Abstract

Within the standard SCF LCAO MO theory the electronic energy is partitioned into components associated with pairs of atomic orbitals and contributions due to the direct (through-space) and indirect (through-bridge) chemical bonds in molecules are identified. Conditions for the overall bonding effect of the implicit bridge interactions are qualitatively examined using the simplest case of the three-orbital model and possible extensions including electron correlation are briefly commented upon. © 2012 Wiley Periodicals, Inc.