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Updated: Jun 12, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Molecular excitons in arylazopyrazole aggregates: a quantum chemical study

Anna Zehle1, Christopher Penschke1, Evgenii Titov2

  • 1Institute of Chemistry, Theoretical Chemistry, University of Potsdam, Karl-Liebknecht-Straße 24-25, 14476, Potsdam, Germany.

Scientific Reports
|June 10, 2026
PubMed
Summary

Molecular photoswitches like arylazopyrazole can change function when aggregated. This study uses quantum chemistry to analyze exciton states in arylazopyrazole aggregates, revealing insights into their electronic properties and spectra.

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