"Broken-hearted" carbon bowl via electron shuttle reaction: energetics and electron coupling.

ABSTRACT: Unprecedented one-step C[double bond, length as m-dash]C bond cleavage leading to opening of the buckybowl (π-bowl), that could provide access to carbon-rich structures with previously inaccessible topologies, is reported; highlighting the possibility to implement drastically different synthetic routes to π-bowls in contrast to conventional ones applied for polycyclic aromatic hydrocarbons. Through theoretical modeling, we evaluated the mechanistic pathways feasible for π-bowl planarization and factors that could affect such a transformation including strain and released energies. Through employment of Marcus theory, optical spectroscopy, and crystallographic analysis, we estimated the possibility of charge transfer and electron coupling between "open" corannulene and a strong electron acc

SUBMITTER: Leith GA 

PROVIDER: S-EPMC8132954 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature