Chemistry · Ch 5 — Chemical Bonding
Conditions for the combination of Atomic Orbitals
Conditions for the combination of Atomic Orbitals
Not every pair of atomic orbitals can combine into molecular orbitals — three conditions must ALL be satisfied first. First, the combining atomic orbitals must have COMPARABLE energies: for instance, a 1s orbital on one atom can combine with another atom's 1s orbital (same energy), but not with that atom's much higher-energy 2s orbital. Second, the combining atomic orbitals must share the SAME SYMMETRY about the molecular (internuclear) axis, conventionally taken as the z-axis: a 2s orbital, for example, can combine with another atom's orbital (both are symmetric about the z-axis) but CANNOT combine with that atom's or orbital, because those are symmetric about a DIFFERENT axis, even though / have the same energy as . Third, the combining atomic orbitals must overlap to the MAXIMUM extent possible — the greater the overlap, the greater the resulting electron density between the …