▎ 摘 要
New examples of polycyclic alternant hydrocarbon (PAH) series having doubly degenerate zero eigenvalues (NBMOs) are presented and their electronic and topological characteristics studied. The lowest singlet-states of these PAHs have exceptionally large macrocyclic antiaromatic contributions. Antiaromatic holes in graphene cones and saddles are defined as those holes with inner perimeters corresponding to 4annulene-, 8annulene-, and 12annulene-shaped polygons in which the corresponding molecule has doubly degenerate zero eigenvalues.