Computational study of c-13 nmr chemical shift anisotropy patterns in c20h10 and [c20h10](4-). Insights into their variation upon planarization and formation of concentric aromatic species in the smaller isolated-pentagon structural motif

Abstract

Corannulene, C20H10, exhibits a concave surface in the ground state that is able to experience a bowl-to-bowl inversion through a planar conformation. Such a structure is the smaller example resembling an isolated-pentagon motif, as a relevant fragment i