The symmetric approach preserves the C2v molecular point group with its twofold axis z and mirror planes xz and yz. The molecular ring lies in xz. Classify orbitals by reflection signs : , , , . With globally defined p-orbital phases the molecular orbital correlation diagram gives
Within either two-orbital symmetry block the lower member remains correlated with the lower product member; the non-crossing rule prevents swapping their order through an ordinary same-symmetry crossing. Crossings between different irreducible representations are allowed. The crucial consequence is that the occupied carbon pi orbital correlates to a C–O-antibonding combination, rather than both initially occupied orbitals becoming the two product bonding orbitals.
Figure 1.
Original six-orbital correlation and schematic state correlation for the symmetric oxygen addition
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Spin-projection-protected crossings in an exchange spectrum Created 2026-10-20 Updated 2026-11-05
In the two-spin exchange spectrum with unequal signed magnetic moments, the axial Hamiltonian conserves . Parallel-spin states have , while the two mixed states lie in the block. Levels in different sectors may cross as the axial magnetic field changes because the conserved projection forces their coupling matrix element to vanish.
This is a symmetry qualification of the non-crossing rule. A nonzero isotropic exchange interaction does not by itself turn every field-dependent crossing into an avoided crossing. A transverse perturbation that breaks conservation of can mix the sectors and open a gap, provided its relevant matrix element is nonzero. Plotting the energy eigenvalues by their conserved projection therefore distinguishes protected crossings from the avoided splitting already present within the block.