Abstract
The aromaticity of benzene and its lack in cyclooctatetraene were analyzed by several methods: simple and two-carbon group additivity, experimental realization of the Dewar-Breslow definition of aromaticity, enthalpies of hydrogenation of different kinds of unsaturated hydrocarbons. All calculations showed a large difference in the stabilization energies of the two molecules, which confirms that benzene is aromatic, while cyclooctatetraene is not. Comments about terms of anthropocentric origin used for the derivatives of benzene are made, as are discussions of convenience and folksonomy.
Original language | English (US) |
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Title of host publication | Advances in Chemical Modeling |
Publisher | Nova Science Publishers, Inc. |
Pages | 417-431 |
Number of pages | 15 |
Volume | 5 |
ISBN (Print) | 9781634823111, 9781634823104 |
State | Published - Apr 1 2015 |
Externally published | Yes |
Keywords
- Anthropocentrism
- Aromaticity
- Benzene
- Cyclooctatetraene
- Folksonomy
- Group increments
- Stabilization
ASJC Scopus subject areas
- Chemistry(all)