Dimerization of phenalenyls with embedded BNB/NBN bond†
Abstract
Two planar-like molecules, 1 and 2, were designed and characterized via the introduction of BNB or NBN bonds into the planar phenalenyl. Localized molecular orbital (LMO) analysis shows three 4c/2e bonds in the “hamburger” hetero-dimer (1–2) and four σ-bonds in the “waffle” homo-dimers (12 and 22), both of which have greater inter-layer interaction.