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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 25: Molecular Electronics and Excited State Properties II
CPP 25.3: Talk
Wednesday, March 20, 2024, 10:00–10:15, H 0111
Large Two-Photon Absorption in Open-Shell N-Heteropolycycles — •Gabriel Sauter1, Audrey Pollien2, Kathleen Fuchs3, Antonia Papapostolou4, Andreas Dreuw4, Uwe Bunz3, and Petra Tegeder1 — 1Physikalisch-Chemisches Institut, University Heidelberg — 2ENS Paris-Saclay, Paris-Saclay University, France — 3Organisch-Chemisches Institut, University Heidelberg — 4Interdisciplinary Center for Scientific Computing, University Heidelberg, Germany
We present a study on the third-order nonlinear optical (NLO) properties of organic open-shell compounds, focusing on two-photon absorption (TPA).
TPA provides distinct advantages over single-photon absorption, such as high spatial resolution and penetration depth, while minimizing photodamage. Effective design is crucial for achieving molecules with significant TPA properties. Molecules with a push-pull system, large extended π-system, and rigid planar structure have shown potential for high TPA.
Recent synthesis efforts have focused on N-heteropolycyclic derivatives incorporating this design. By employing the Z-scan technique, we can analyze how molecular design influences NLO properties and find pronounced TPA cross sections in the near-infrared region by introducing open-shell character, revealing remarkable values (up to 8400 GM) compared to similar organic compounds.
Keywords: Two-Photon Absorption; Open-Shell; N-Heteropolycycle; Z-Scan; Non-linear optics