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Updated: Aug 19, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
A new class of organic donor-acceptor molecules with large third-order optical nonlinearities
Tsuyoshi Michinobu1, Joshua C May, Jin H Lim
1Laboratorium für Organische Chemie, ETH-Hönggerberg, CH-8093 Zürich, Zwitzerland.
Abstract:
Donor-acceptor molecules with 4-(dimethylamino)phenyl donor and 1,1,4,4-tetracyanobuta-1,3-diene acceptor moieties are readily prepared by short, high-yielding routes. The quite small chromophores are characterised by X-ray crystallography and feature intense intramolecular charge-transfer bands, substantial quinoid character in the donor rings, reversible electrochemical reductions and oxidations and powerful third-order optical nonlinearities.
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