Dications of bis-triarylamino-[2.2]paracyclophanes: Evaluation of excited state couplings by GMH analysis

The Journal of Physical Chemistry. a
Stephan Amthor, Christoph Lambert

Abstract

In this paper, we present the absorption properties of a series of bis-triarylamino-[2.2]paracyclophane diradical dications. The localized pi-pi and the charge-transfer (CT) transitions of these dications are explained and analyzed by an exciton coupling model that also considers the photophysical properties of the "monomeric" triarylamine radical cations. Together with AM1-CISD-calculated transition moments, experimental transition moments and transition energies of the bis-triarylamine dications were used to calculate electronic couplings by a generalized Mulliken-Hush (GMH) approach. These couplings are a measure for interactions of the excited mixed-valence CT states. The modification of the diabatic states reveals similarities of the GMH three-level model and the exciton coupling model. Comparison of the two models shows that the transition moment between the excited mixed-valence states mu(ab) of the dimer equals the dipole moment difference Delta of the ground and the excited bridge state of the corresponding monomer.

References

Feb 15, 2001·Accounts of Chemical Research·G P Bartholomew, G C Bazan
Jul 19, 2002·Chemical Society Reviews·Bruce S BrunschwigNorman Sutin
Aug 31, 2002·Chemistry : a European Journal·Christoph Lambert, Gilbert Nöll
Sep 4, 2003·Chemistry : a European Journal·Christoph LambertKlaus Meerholz
Sep 10, 2003·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Christoph Lambert
Oct 9, 2003·Journal of the American Chemical Society·Stephen F NelsenJoão P Telo
Oct 30, 2003·Journal of the American Chemical Society·Jenny V LockardStephen F Nelsen
Mar 5, 2004·Journal of the American Chemical Society·Veaceslav CoropceanuJean-Luc Brédas
Sep 16, 2004·Journal of the American Chemical Society·Glenn P BartholomewGuillermo C Bazan
Sep 24, 2004·Journal of the American Chemical Society·Simon C JonesSeth R Marder
Nov 4, 2004·Angewandte Chemie·Alexander HeckmannRüdiger Wortmann
Aug 17, 1998·Angewandte Chemie·Christoph Lambert, Gilbert Nöll

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Citations

May 30, 2009·Beilstein Journal of Organic Chemistry·Gareth J Rowlands, Richard J Seacome
Aug 13, 2015·Journal of Computational Chemistry·Martin KauppChristoph Lambert
Oct 11, 2008·Angewandte Chemie·Henning Hopf
Jul 19, 2012·Advanced Materials·Felix SchlosserFrank Würthner
Apr 19, 2008·Organic & Biomolecular Chemistry·Gareth J Rowlands
Sep 2, 2011·Physical Chemistry Chemical Physics : PCCP·Martin KauppChristoph Lambert

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