Sesquifulvalene Explained

Sesquifulvalene or pentaheptafulvalene is a hydrocarbon in the fulvalene class with chemical formula C12H10. It is composed of linked cyclopentadiene and cycloheptatriene rings.

Properties

In the ground state, which is a singlet state, the central double bond is polarized, with a partial positive charge on the carbon atom of heptagonal ring and a partial negative charge on the carbon atom of pentagonal ring. This shift makes each ring have closer to 4n+2 π electrons, in keeping with the Hückel's pattern of aromatic stability. However, in the lowest quintet state, the central double bond is polarized with a partial negative charge on the carbon atom of heptagonal ring and a partial positive charge on the carbon atom of pentagonal ring due to Baird's rule.[1]

See also

Notes and References

  1. Christian Dahlstrand. Martin Rosenberg. Exploration of the π-Electronic Structure of Singlet, Triplet, and Quintet States of Fulvenes and Fulvalenes Using the Electron Localization Function. The Journal of Physical Chemistry A. 2012. 116. 20. 5008–5017. 10.1021/jp3032397. 22536920. 2012JPCA..116.5008D.