The Structure of the Tetracation of Hexaazaoctadecahydrocoronene, A Simple Substituted Benzene | Zendy

Dixon David A. | Zendy; Calabrese Joseph C. | Zendy; Harlow Richard L. | Zendy; Miller Joel S. | Zendy

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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.

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