Suresh, Cherumuttathu H. ; Koga, Nobuaki (2006) An isodesmic reaction based approach to aromaticity of a large spectrum of molecules Chemical Physics Letters, 419 (4-6). pp. 550-556. ISSN 00092614
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Official URL: http://doi.org/10.1016/j.cplett.2005.12.028
Related URL: http://dx.doi.org/10.1016/j.cplett.2005.12.028
Abstract
A new thermodynamic scale of aromaticity is devised for a large spectrum of organic molecules using isodesmic reactions. The present scale named Earoma quantifies aromaticity as the average stabilization of a conjugated bond in a cyclic/extended cyclic conjugated system as compared to a matching linear conjugated one. The Earoma values showed good agreement with the HOMA, NICS0, NICS1, MESP, and ASE indices of aromaticity. Earoma scale offers an easy way to compare the aromaticity of molecules in different categories to that of benzene.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier B.V. |
| ID Code: | 127600 |
| Deposited On: | 13 Oct 2022 10:57 |
| Last Modified: | 13 Oct 2022 10:57 |
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