Fig. 2 | Communications Chemistry

Fig. 2

From: Adaptive aromaticity in S0 and T1 states of pentalene incorporating 16 valence electron osmium

Fig. 2

NICS(1)zz grids for complexes 13 in the S0 and T1 states. Each grid covers a 10 × 10 Å square area parallel to molecular planes, with 0.5 Å resolution and 441 points in total (Supplementary Fig. 1). A fixed color scale (−50 to 50 p.p.m.) is applied to all grids for easy comparison. NICS(1)zz values calculated at the ring centers (upper ring; lower ring) are commented on the bottom-right of each grid. Projection of in-plane atomic positions are marked on the maps and connected accordingly with lines. af NICS(1)zz grids for 1-S 0 , 2-S 0 , 3-S 0 , 1-T 1 , 2-T 1 , and 3-T 1

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