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The Structure of the Tetracation of Hexaazaoctadecahydrocoronene, A Simple Substituted Benzene
Author(s) -
Dixon David A.,
Calabrese Joseph C.,
Harlow Richard L.,
Miller Joel S.
Publication year - 1989
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.198900921
Subject(s) - benzene , aromaticity , simple (philosophy) , computational chemistry , resonance (particle physics) , ground state , chemistry , molecular physics , materials science , crystallography , molecule , atomic physics , physics , organic chemistry , philosophy , epistemology
The aromaticity of the benzene nucleus is essentially retained when 1 is oxidized to 1 4⊕ . This was revealed by comparison of experimental and calculated structural parameters, which are best in agreement with the resonance structure shown on the right for 1 4⊕ . The triplet ground state which, in principle, is conceivable for 1 4⊕ was, however not found.