Verifying the PCP-rule by five-center bond indices | Zendy

Jelena Djurdjevic | Zendy; Iván Gutman | Zendy; Robert Ponec | Zendy

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Verifying the PCP-rule by five-center bond indices

Author(s) -

Jelena Djurdjevic,

Iván Gutman,

Robert Ponec

Publication year - 2009

Publication title -

journal of the serbian chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.227

H-Index - 45

eISSN - 1820-7421

pISSN - 0352-5139

DOI - 10.2298/jsc0905549d

Subject(s) - fluoranthene , conjugated system , ring (chemistry) , chemistry , cyclopentadienyl complex , molecule , computational chemistry , center (category theory) , organic chemistry , crystallography , polymer , anthracene , catalysis

According to the recently discovered PCP-rule, the (stabilizing) energy- effect of the cyclic conjugation in the 5-membered ring of acenaphthyleneand 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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