Cover Feature: Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet–Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs (Chem. Eur. J. 23/2021)
Structure, sequence, spin: The structures of polybenzenoid hydrocarbons are analyzed in terms of the sequence of tricyclic annulations, revealing regularities in the location of spin density and Baird-antiaromaticity. The two properties localize onto specific tri- and tetracyclic substructures according to a hierarchy: linear, zig-zag, curved. The same preferences are reflected in the relative energy of the T1 systems and in the singlet-triplet energy gaps. More information can be found in the Full Paper by R. Gershoni-Poranne et al. on page 6923.