Heidelberg 2015 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

MO: Fachverband Molekülphysik

MO 14: Cold Molecules 2

MO 14.4: Vortrag

Mittwoch, 25. März 2015, 15:30–15:45, PH/HS1

High Resolution Infrared Spektropy and Semi-Experimental Structures of Silicon-Carbon and Germanium-Carbon Clusters — •Volker Lutter¹, Sven Thorwirth², Jürgen Gauss³, and Thomas Giesen¹ — ¹Institut für Physik, Universität Kassel, Heinrich-Plett-Straße 40, Kassel — ²I. Physikalisches Institut, Universität zu Köln, Zülpicher Straße 77, Köln — ³Institut für Physikalische Chemie, Johannes Gutenber-Universität Mainz, Duesbergweg 10-14, Mainz

Gas-phase spectra of molecules and clusters comprising carbon and refractory elements like silicon and germanium are not well studied despite the relevance of these systems in various fields of research such as material sciences, nanotechnology, astrochemistry and theoretical chemistry. Especially for mixed polyatomic germanium-carbon molecules no high-resolution spectroscopic studies have been reported to date.

In this contribution, we present the first high-resolution gas-phase measurements of jet-cooled linear Ge₂C₃ (Ge=C=C=C=Ge). The rovibrational spectrum of the antisymmetric C-C-stretching mode ν₃ has been observed at 5.2 µm and found to exhibit a complex pattern due to the presence of a sizable number of abundant isotopologs. Our study is complemented by high-level quantum-chemical calculations of Ge₂C₃ at the CCSD(T) level of theory. The data analysis allows for direct comparison of theoretical and experimental results of selected molecular parameters.