Sayyed, Fareed Bhasha ; Suresh, Cherumuttathu H. (2009) An electrostatic scale of substituent resonance effect Tetrahedron Letters, 50 (52). pp. 7351-7354. ISSN 00404039
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Official URL: http://doi.org/10.1016/j.tetlet.2009.10.064
Related URL: http://dx.doi.org/10.1016/j.tetlet.2009.10.064
Abstract
Substituent resonance constant, is calculated from substituted benzenes using molecular electrostatic potential (MESP). The reliability of is rigorously verified using isodesmic reactions and found that the energy component of substituent resonance effect is proportional to . Thus the MESP approach enabled the definition to an electrostatic scale of substituent resonance effect.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Ltd. |
| Keywords: | Resonance effect, Molecular electrostatic potential, Isodesmic reactions, Density functional theory, Substituent effects |
| ID Code: | 127485 |
| Deposited On: | 13 Oct 2022 10:50 |
| Last Modified: | 13 Oct 2022 10:50 |
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