Solution (source code)

= Solution

The three $d_{xz}$ orbitals are in the Ru–O plane and can overlap directly along the Ru–Ru edges. Their locally rotated lobes have nonzero edge-directed overlap, producing metal–metal bonding and antibonding combinations; a simple <triangle> model resolves the three orbitals into a singlet and a doublet. The phases and ordering depend on the chosen local basis, so the important feature is the \b[complete set of three combinations].

In the occupancy obtained in (i), this $d_{xz}$ set contains six <electrons>. All three combinations are filled: the stabilization of the bonding combinations is offset by occupation of their antibonding partners. Equivalently, the sum of the three eigenvalues of a pure off-diagonal interaction matrix is zero. Hence \b[there is no net Ru–Ru <bond order> from this filled set in the stated model]. Overlap alone is not evidence of a net metal–metal bond. This conclusion neglects higher-order mixing and the interactions explicitly excluded from the qualitative diagram.