5.1: Formation of Molecular Orbitals from Atomic Orbitals

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  • The addition or subtraction of wavefunctions is termed linear combination of atomic orbitals (LCAO)
  • For two atomic wavefunctions to form a bond, three conditions must be satisfied: 1. the distance between the atoms must be small enough to provide good overlap, 2. the symmetry of the orbitals must be compatible for constructive interference, and 3. the energies of the atomic orbitals must be similar
  • Atomic orbitals combine to form molecular orbitals that are lower in energy than the original atomic orbital energies