Related Experiment Video
Updated: Oct 14, 2025

Preparation of a Corannulene-functionalized Hexahelicene by CopperI-catalyzed Alkyne-azide Cycloaddition of Nonplanar Polyaromatic Units
Published on: September 18, 2016
Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid
Timothy K Dickens1, Roger B Mallion1
1Peterhouse, Cambridge CB2 1RD, England, United Kingdom.
Abstract:
Comparison is made between two calculated magnetic properties of a recently synthesized 24-ring corannulene-dibenzobistetracene hybrid (Corannulene-DBT): nuclear independent chemical shifts published by Xu et al. and Hückel-London-Pople-McWeeny (HLPM) ring currents and bond currents that are presented here. There is agreement in 18 of the 24 rings in Corannulene-DBT. This is seen as further evidence that the HLPM approach has a surprising ability to reproduce complex patterns of current in large polycyclic hydrocarbons.
Related Concept Videos
Structure of Benzene: Molecular Orbital Model
Stability of Conjugated Dienes
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
Structure of Conjugated Dienes
Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the double...
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
Valence Bond Theory
Hybridization of Atomic Orbitals I

