| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391270 | Chemical Physics Letters | 2006 | 7 Pages |
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.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Cherumuttathu H. Suresh, Nobuaki Koga,