Angewandte Chemie International Edition · 2018 · 47 citations · 64 references
Natural SciencesChemistryInorganic ChemistryStructure-activity RelationshipsSupramolecular ChemistryCoordination ChemistryHeterocyclic ChemistryHeterocyclic CompoundsDiradical CharacterPorphyrin ComplexesRing Current Contributions
Abstract Fused benzene rings to antiaromatic compounds generally improve their stability but attenuate their antiaromaticity. The opposite case is now reported. Ni II benzonorcorroles were synthesized and the effect of benzo‐fusion on the antiaromaticity was elucidated. The benzo‐fusion resulted in significant decrease of the HOMO–LUMO gaps and enhancement of the paratropic ring current effect. Furthermore, the introduction of the benzo groups induced singlet diradical character in the antiaromatic porphyrinoid.
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Self-consistent field—theory and applications
W. W · Journal of Molecular Structure THEOCHEM · 1991 · 325 citations