Figure 3

π- and σ-bonding fluctuations of (a) C10H10 and (b) C8BH9 in a full circle GS → TS → GS′ → TS′ → GS), with the two fluxional π-bonds and one fluxional σ-bond fluctuating up and down in opposite directions indicated by red arrows. The ON values represent the calculated occupation numbers of corresponding bonds.