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Updated: Feb 15, 2026
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Synthesis, Crystal Analysis, and Optoelectronic Properties of Diazole-Functionalized Acenes and Azaacenes
Huahang Pan1, Tingting Song1, Xiaomeng Yin1
1College of Chemistry and Environmental Science, Key Laboratory of Chemical Biology of Hebei Province, Hebei University, Baoding, 071002, P. R. China.
Abstract:
Doping heteroatoms into the skeletons of parent acenes can provide more opportunities to construct novel thermally and photostable organic π-conjugated semiconductors. Herein, a family of diazole-decorated acenes (APyS and APySe) and azaacenes (PyP, PyTh, PyPy, PyPh, and PyAP) have been successfully synthesized through the classical reactions. Single-crystal X-ray analyses showed that these as-formed diazole-modified derivatives adopted a twisted topology configuration, whereas the azaacenes display reclining-chair architectures, besides a twisted structure. All these compounds displayed yellow or red light in solution. Moreover, their electrochemical behaviors were also examined. We also found that the azaacenes exhibited a positive spectroscopic response to acid.
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