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Aromaticity and Diatropicity of Polyacenequinododimethides
Author(s) -
Aihara Junichi,
Makino Masakazu
Publication year - 2008
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.200700287
Subject(s) - aromaticity , conjugated system , methylene , molecule , electronic circuit , chemistry , graph , computational chemistry , physics , computer science , organic chemistry , theoretical computer science , quantum mechanics , polymer
Typical polyacenequinododimethides exist only in a single classical structure. These hydrocarbons are moderately aromatic and diatropic, although they have no aromatic conjugated circuits. This apparent dichotomy was resolved with our graph theory of aromaticity and magnetotropicity. Many nonconjugated circuits were found to contribute collectively to aromaticity and diatropicity. For individual molecules, local aromaticity increases with distance from the exo ‐methylene groups. This fact indicates that the conjugated‐circuit model is not always applicable to semibenzenoid hydrocarbons such as polyacenequinododimethides.