In this paper we show that resonance energies and localization energies of benzenoid hydrocarbons can be obtained by counting resonance structures , and that results are tantamount to the best obtainable from highly parameterized SCF-LCAO-MO calculations. The number of Kekul6 structures for a benze
Resonance energies of benzenoid hydrocarbons
β Scribed by Aihara, Junichi
- Book ID
- 126888204
- Publisher
- American Chemical Society
- Year
- 1977
- Tongue
- English
- Weight
- 638 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
## Abstract A simple method is described for the calculation of resonance energies (RE) of linear acenes based on their number of KekulΓ© structures. The values obtained for the first five linear acenes are used to graphβtheoretically calculate RES of a wide variety of benzenoid hydrocarbons. Excell
We calculated the molecular resonance energy for a recently synthesized giant benzenoid hydrocarbon C H having 27 fused benzene rings. Using the method 78 26 Ε½ . of conjugated circuits, we derived the expression for the molecular resonance energy RE in terms of contributing conjugated circuits of s