Chattaraj, P. K. ; Sarkar, U. ; Roy, D. R. (2009) Electronic structure principles and aromaticity Journal of Chemical Education, 84 (2). p. 354. ISSN 0021-9584
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Official URL: http://pubs.acs.org/doi/abs/10.1021/ed084p354
Related URL: http://dx.doi.org/10.1021/ed084p354
Abstract
Principles of minimum energy, minimum polarizability, minimum electrophilicity, and maximum hardness dictate that the aromatic molecules are associated with low energy, low polarizability, low electrophilicity, and high hardness values. The antiaromatic molecules should possess high energy, high polarizability, high electrophilicity, and low hardness values. This fact is demonstrated through the B3LYP/6-311G** calculations on benzene and cyclobutadiene. Aromaticity in aluminum clusters is also analyzed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| Keywords: | Aromatic Compounds |
| ID Code: | 71173 |
| Deposited On: | 24 Nov 2011 09:24 |
| Last Modified: | 24 Nov 2011 09:24 |
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