Hannover 2013 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 27: Poster 3: Collisions, Electronic Spectroscopy, Energy Transfer, Quantum Chemistry, Molecular Dynamics, Photochemistry, Spectroscopy in He-Droplets

MO 27.4: Poster

Donnerstag, 21. März 2013, 16:00–18:30, Empore Lichthof

Theoretical studies on formation of single transition metalcarbonyl complexes in the gas phase — •Josef Anton — Institut für Elektrochemie, Univiversität Ulm, 89069 Ulm

One of the very interesting but on the other site also extremely challenging topics in modern chemistry concerns the properties of super-heavy elements [1]. Due to their very short life times (∼ 1 s) one is limited to experiments on only one atom at a time, which have to be performed before the nucleus decays. Since most standard techniques of ’traditional’ chemistry are not applicable, only few experimental setups are available, such as the gas phase thermochromatography [1, 2]. Most gas phase chemical studies of SHE include only inorganic compounds like (oxo)halides and oxides, or focused on the elemental state [1]. Recently, first gas chromatographic studies of single transition metal carbonyl complexes with short-lived isotopes of Mo, W, and Os were reported [3].

Our four-component DFT code [4] has been used to study the spectroscopical and chemical properties of single transition metal carbonyl complexes in the gas phase. The results of those studies will be presented in this contribution.

[1] M. Schädel, The Chemistry of Superheavy Elements, Kluwer Academic Publishers, Dodrecht, 2003.

[2] M. Schädel and A. Türler, Physik Journal, 6, 35 (2009).

[3] J. Even et al., Inorg. Chem., 51, 6431 (2012).

[4] J. Anton, B. Fricke, E. Engel, Phys. Rev. A, 69, 012505 (2004).