Bowl-to-bowl inversion of sumanene derivatives

Abstract

Bowl-to-bowl inversion is one of the characteristic behaviors for some flexible open-end molecular bowls consisting of polycyclic aromatic hydrocarbons with benzene rings fused by imbedded five-membered rings (Pi; bowls). This intriguing dynamics was studied with sumanene, which is the smallest C 3v symmetric fragment of fullerenes. In this article, our ongoing research on the bowl-to-bowl inversion of sumanene, its benzylic anion species, hexasubstituted derivatives, mononaphthosumanene, and [CpRu(η 6-sumenene)]+ complex is summarized. Estimation based on density functional theory (DFT) calculation is also described. © 2012 IUPAC.