Mainz 2026 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 30: Poster – Molecular Spectroscopy

MO 30.5: Poster

Donnerstag, 5. März 2026, 17:00–19:00, Philo 1. OG

Photoelectron Spectroscopy of Thiaadamantane — •Domenik Schleier, Parker Crandall, Simone Stahl, Sebastian Voelz, and Otto Dopfer — Institut für Physik und Astronomie, TU Berlin, Germany

Diamondoids are three dimensional organic molecules that are derived from the diamond lattice structure. As such, they contain no aromatic system, rendering their electronic structure distinctly different from polycylic aromatic hydrocarbons. Nonetheless, they exhibit broadly tunable optical properties as well as a high chemical and thermal stability, making them suitable for applications in photonics, material science and medicine. The proliferation of nanodiamonds in extraterrestrial environments suggests that their molecular derivatives play important roles in astronomy as well. To evaluate their presence, their electronic structure and photostability need to be characterized. While regular diamondoids exhibit broad and featureless optical spectra due to ultrafast non-radiative deactivation, heteroatom substitutions of the cage-carbon atoms increases their excited state lifetime and possibly their photostability. To further study the effect of heterosubstitution on the electronic structure of diamondoids we study the electronic structure of Thiaadamantane (ThiaAda) by photoelectron spectroscopy and its photodecomposition via quantum chemistry. We find an abiabatic ionization energy of 8.04 eV for ThiaAda and characterize multiple excited states.

Keywords: Photoelectron Spectroscopy; Diamondoid; Photodecomposition; Astrochemistry; Ionization