Conflicting Electronics

Significance

Molecules that cannot be understood by simple Kekulé structures are of interest to gain a better understanding of chemical bonding. The molecules shown have nearly degenerate Kekulé and diradical character and are of interest for the design of molecules with useful electronic properties. Specifically, the unusual delocalization in these systems should give rise to strong hyperpolarizability and non-linear optical properties. Open-shell structures are also of interest for the design of organic materials that behave as magnets, semiconductors, or metallic conductors.