First report of a planar and a quasi-planar Al13+ cluster having localized antiaromatic deltas within an aromatic sea: NICS, ELF, AIM, and AdNDP bonding analysis

a perfectly planar al13+ cluster (ci) and a quasi-planar al13+ cluster (cii) have been found for the first time. both clusters have a triangular core surrounded by a set of ten al atoms in the form of a ring. these cationic clusters have substantial aromatic character. the planar ci cluster has local antiaromatic patches within global aromatic sea. it is doubly aromatic having both σ and π aromatic character. the quasi-planar cii cluster is also aromatic but it has more σ-delocalization.