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 Citation4annulene-, Citation8annulene-, and Citation12annulene-shaped polygons in which the corresponding molecule has doubly degenerate zero eigenvalues.
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Dias et al. (2009) studied this question.
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