We thank I. S. Neretin for computational assistance and the R. A. Welch Foundation for financial support.
Through-Space (Cofacial) π-Delocalization among Multiple Aromatic Centers: Toroidal Conjugation in Hexaphenylbenzene-like Radical Cations†
Article first published online: 12 JUL 2005
Copyright © 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 44, Issue 32, pages 5133–5136, August 12, 2005
How to Cite
Sun, D., Rosokha, S. V. and Kochi, J. K. (2005), Through-Space (Cofacial) π-Delocalization among Multiple Aromatic Centers: Toroidal Conjugation in Hexaphenylbenzene-like Radical Cations. Angew. Chem. Int. Ed., 44: 5133–5136. doi: 10.1002/anie.200501005
- Issue published online: 8 AUG 2005
- Article first published online: 12 JUL 2005
- Manuscript Received: 18 MAR 2005
- charge transfer;
- Mulliken–Hush theory;
- radical ions
Pi and doughnuts: Highly effective through-space conjugation among cofacial (aromatic) redox centers is established in stable hexaanilinylbenzene radical cations (1.+; π conjugation shown by toroid). The radical cations show unusual intervalence absorption bands and are quantitatively analyzed by Mulliken–Hush formulation.