SAMOP 2023 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 20: Poster III

MO 20.7: Poster

Donnerstag, 9. März 2023, 16:30–19:00, Empore Lichthof

Photoelectron Spectroscopy of Simple Diamondoids — •Simone Stahl, Parker Crandall, Marko Förstel, and Otto Dopfer — Institut für Optik und Atomare Physik, Technische Universität Berlin, Germany

Diamondoids are a class of aliphatic molecules with cage-like structures and are a bridge between small hydrocarbons and large nanodiamond macromolecules. Extrasolar nanodiamonds have been discovered in carbonaceous chondrites and could account for more than 5% of cosmic and 40% of tertiary carbon in the interstellar medium.1 Due to similarities between their infrared spectra and the unidentified infrared emission bands of young stars, diamondoids could be present in these environments.2 However, laboratory measurements of the optical properties of diamondoids, particularly of their cations and functionalized variants, remains incomplete and are necessary for astronomical observations. Here, we present the first photoelectron spectra of cyanoadamantane and amantadine. These are compared to newly measured spectra of adamantane, diamantane, and urotropine, with improved resolution and a more thorough assignment of spectral features with the aid of TD-DFT calculations.3,4 The effect of functionalization on the ionization potential, as well as the size and shape of the cage structure on the PES spectrum will be discussed.

1. Henning, Th. & Salama, F. Science 282, 2204-2210 (1998).

2. Pirali, O. et al. ApJ 661, 919-925 (2007).

3. Schmidt, W. Tetrahedron 29, 2129-2134 (1973).

4. Rander, T. et al. J. Chem. Phy. 138, 024310 (2013).

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