Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster.

ABSTRACT: 3D-aromatic molecules with (distorted) tetrahedral, octahedral, or spherical structures are much less common than typical 2D-aromatic species or even 2D-aromatic-in-3D systems. Closo boranes, [B_nH_n]^2- (5 ≤ n ≤ 14) and carboranes are examples of compounds that are singly 3D-aromatic, and we now explore if there are species that are doubly 3D-aromatic. The most widely known example of a species with double 2D-aromaticity is the hexaiodobenzene dication, [C₆I₆]²⁺. This species shows π-aromaticity in the benzene ring and σ-aromaticity in the outer ring formed by the iodine substituents. Inspired by the hexaiodobenzene dication example, in this work, we explore the potential for double 3D-aromaticity in [B₁₂

SUBMITTER: Poater J 

PROVIDER: S-EPMC10591335 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature