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Dimerization of phenalenyls with embedded BNB/NBN bond†
Dai-Jun Li,Feng-Wei Gao,Hong-Liang Xu
New Journal of Chemistry Pub Date : 03/30/2022 00:00:00 , DOI:10.1039/D1NJ06166F
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.

Graphical abstract: Dimerization of phenalenyls with embedded BNB/NBN bond
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