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Is Kekulene Really Superaromatic?
Author(s) -
Jiao Haijun,
Schleyer Paul von Ragué
Publication year - 1996
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199623831
Subject(s) - computer science
Kekulene is indeed a “normal” aromatic molecule . This conclusion is reached in a theoretical study in which a number of calculated properties of kekulene and reference compounds such as benzene, phenan‐threne, and 1,2:7,8‐dibenzanthracene were compared. Structure 1 is the most apt description of this molecule, and claims of superaromaticity can finally be laid to rest.