Datta, Ayan ; Pati, Swapan K. (2006) Limit to puckering of benzene with sterically crowded molecules: hexaferrocenylbenzene Chemical Physics Letters, 433 (1-3). pp. 67-70. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.cplett.2006.11.020
Abstract
The resonance energies for the chair and boat puckering modes in benzene have been calculated through their hydrogenation energies. It is found that benzene retains its aromatic stabilization for distortions less than +0.3 Å/-0.3 Å and +0.3 Å/+0.3 Å for the chair and boat forms respectively. The calculated resonance energies and NICS for the benzene ring in hexaferrocenylbenzene (HFB) suggests that even though the benzene ring is puckered, it remains aromatic and thereby stable.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 60862 |
| Deposited On: | 12 Sep 2011 07:17 |
| Last Modified: | 12 Sep 2011 07:17 |
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