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3,5,7,9‐Tetraphenylhexaazaacridine: A Highly Stable, Weakly Antiaromatic Species with 16 π Electrons
Author(s) -
Langer Peter,
Bodtke Anja,
Saleh Nehad N. R.,
Görls Helmar,
Schreiner Peter R.
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200500831
Subject(s) - antiaromaticity , anthracene , electron , chemistry , acridine , computational chemistry , physics , crystallography , aromaticity , quantum mechanics , photochemistry , organic chemistry , molecule
Zwitterionic structures with very low lying triplet states are the dominant characteristics of the first hexaazaacridine, 3,5,7,9‐tetraphenylhexaazaacridine (TPH‐acridine, see picture), and the analogous TPH‐anthracene. The structure and spectroscopic properties were studied experimentally and by DFT calculations and analysis of nucleus‐independent chemical shifts.