Verifying the PCP-rule by five-center bond indices
According to the recently discovered PCP-rule, the (stabilizing) energy-effect of the cyclic conjugation in the 5-membered ring of acenaphthylene- and fluoranthene-type polycyclic conjugated hydrocarbons increases with the number of phenyl–cyclopentadienyl (PCP) fragments present in the molecule. It...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Serbian Chemical Society
2009-05-01
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| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.shd.org.rs/JSCS/Vol74/No5/07_4225_3854.pdf |
| Summary: | According to the recently discovered PCP-rule, the (stabilizing) energy-effect of the cyclic conjugation in the 5-membered ring of acenaphthylene- and fluoranthene-type polycyclic conjugated hydrocarbons increases with the number of phenyl–cyclopentadienyl (PCP) fragments present in the molecule. It is now shown that the validity of the PCP-rule is also supported by the 5-center bond indices, an independent quantitative theoretical measure of cyclic conjugation in 5-membered rings. |
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| ISSN: | 0352-5139 |