Verifying the PCP-rule by five-center bond indices

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...

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Main Authors: JELENA ĐURĐEVIĆ, IVAN GUTMAN, ROBERT PONEC
Format: Article
Language:English
Published: Serbian Chemical Society 2009-05-01
Series:Journal of the Serbian Chemical Society
Subjects:
acenaphthylene-type hydrocarbons
fluoranthene-type hydrocarbons
PCP-rule
multicenter bond index
cyclic conjugation
Online Access:http://www.shd.org.rs/JSCS/Vol74/No5/07_4225_3854.pdf
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spelling doaj-a3c6a120abfb434ba60016565465d97f2020-11-24T23:53:28ZengSerbian Chemical Society Journal of the Serbian Chemical Society0352-51392009-05-01745549554Verifying the PCP-rule by five-center bond indicesJELENA ĐURĐEVIĆIVAN GUTMANROBERT PONECAccording 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.http://www.shd.org.rs/JSCS/Vol74/No5/07_4225_3854.pdfacenaphthylene-type hydrocarbonsfluoranthene-type hydrocarbonsPCP-rulemulticenter bond indexcyclic conjugation
collection DOAJ
language English
format Article
sources DOAJ
author JELENA ĐURĐEVIĆ
IVAN GUTMAN
ROBERT PONEC
spellingShingle JELENA ĐURĐEVIĆ
IVAN GUTMAN
ROBERT PONEC
Verifying the PCP-rule by five-center bond indices
Journal of the Serbian Chemical Society
acenaphthylene-type hydrocarbons
fluoranthene-type hydrocarbons
PCP-rule
multicenter bond index
cyclic conjugation
author_facet JELENA ĐURĐEVIĆ
IVAN GUTMAN
ROBERT PONEC
author_sort JELENA ĐURĐEVIĆ
title Verifying the PCP-rule by five-center bond indices
title_short Verifying the PCP-rule by five-center bond indices
title_full Verifying the PCP-rule by five-center bond indices
title_fullStr Verifying the PCP-rule by five-center bond indices
title_full_unstemmed Verifying the PCP-rule by five-center bond indices
title_sort verifying the pcp-rule by five-center bond indices
publisher Serbian Chemical Society
series Journal of the Serbian Chemical Society
issn 0352-5139
publishDate 2009-05-01
description 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.
topic acenaphthylene-type hydrocarbons
fluoranthene-type hydrocarbons
PCP-rule
multicenter bond index
cyclic conjugation
url http://www.shd.org.rs/JSCS/Vol74/No5/07_4225_3854.pdf
work_keys_str_mv AT jelenađurđevic verifyingthepcprulebyfivecenterbondindices
AT ivangutman verifyingthepcprulebyfivecenterbondindices
AT robertponec verifyingthepcprulebyfivecenterbondindices
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