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MO: Fachverband Molekülphysik
MO 5: MO Poster 1
MO 5.12: Poster
Montag, 9. März 2020, 17:00–19:00, Empore Lichthof
High-resolution infrared study of carbon-rich clusters C3X and XC3X (X = Se, Te) — Sven Thorwirth1, •Thomas Salomon1, John B. Dudek2, Yury Chernyak2, Sophia Burger3, Jürgen Gauss3, and Stephan Schlemmer1 — 1I. Physikalisches Institut, Universität zu Köln, Köln, Germany — 2Department of Chemistry, Hartwick College, Oneonta, NY, U.S.A. — 3Department Chemie, Johannes Gutenberg-Universität Mainz, Mainz, Germany
To date, carbon-rich clusters harboring heavy elements have received little attention from both experiment and quantum chemistry. Recent high-resolution infrared survey scans of laser ablation products from carbon-selenium and carbon-tellurium targets in the 5µm wavelength regime have revealed several vibration-rotation bands not observed previously. On the basis of comparison with results from density-functional theory (DFT) calculations and high-level quantum-chemical calculations performed at the CCSD(T) level of theory these bands are attributed to new linear chains of the form C3X and XC3X with X being either Se or Te.