Extended Data Fig. 4: Bond lengths, charge distributions and trans-annular distances in two geometries of the dianion. | Nature Chemistry

Extended Data Fig. 4: Bond lengths, charge distributions and trans-annular distances in two geometries of the dianion.

From: The anti-aromatic dianion and aromatic tetraanion of [18]annulene

Extended Data Fig. 4

a Bond lengths and b NBO charges in 1a2– (left) and 1b2– (right) calculated at the BLYP45/def2-TZVP level. Dark blue corresponds to –0.45 |e|, light green to –0.15 |e|. Distances between atoms with the largest negative charge are highlighted.

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