Dresden 2026 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 17: Poster I
CPP 17.6: Poster
Monday, March 9, 2026, 19:00–21:00, P5
Tuning Two-Photon Absorption Cross Sections in Azaacene Diradicals — •Gabriel Sauter1, Antonia Papapostolou2, Julia Weyandt1, Pascal Merten3, Kerstin Brödner3, Uwe H. F. Bunz3, Andreas Dreuw2, and Petra Tegeder1 — 1Physikalisch-Chemisches Institut — 2Interdisziplinäres Zentrum für Wissenschaftliches Rechnen — 3Organisch-Chemisches Institut, Universität Heidelberg
Diradical bithiophene azaacenes have been shown as an outstanding class of nonlinear optical (NLO) materials with potential applications in bioimaging, photodynamic therapy, and 3D nanoprinting, while exhibiting exceptionally high two-photon absorption (2PA) cross sections exceeding 53 000 GM [1].
Using a combined approach of experimental z-scan measurements and theoretical modeling, we analyzed the structure-property relationships governing NLO efficiency and tuning. Here especially the influence of diradical character, molecular extension, and sulfur substitution on the 2PA response was investigated. The results reveal fundamental insights into the synergy between molecular symmetry and electronic structure for optimizing the NLO responses. This enables a more targeted design of near-infrared active materials for photonic applications.
[1] G. Sauter, A. Papapostolou et al., Angew. Chem. Int. Ed. 2025, 64, e2503073.
Keywords: Two-Photon Absorption; Nonlinear Optical Materials; Diradical; Quinoidal Diazaacene; Photonics