Heidelberg 2015 – scientific programme
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MO: Fachverband Molekülphysik
MO 4: Cold Molecules 1
MO 4.3: Talk
Monday, March 23, 2015, 15:00–15:15, PH/SR106
IR and UV-NIR absorption spectroscopy of matrix isolated C70+/−: theory breaks down. — •Dmitry Strelnikov, Bastian Kern, Artur Böttcher, Patrick Weis, and Manfred M. Kappes — Institute of physical chemistry II, KIT, Fritz-Haber-Weg 2, Karlsruhe, Germany
Fullerene C70 ions have recently become of interest to the astronomy community and are also relevant in the field of organic photovoltaics. C70+ ions were mass-selectively deposited into a neon matrix at 5 K. Like in the case of C60+ deposition [1], soft landing into neon is associated with some charge exchange processes such that C70+ as well as resulting C70 and C70− can be probed simultaneously. In contrast to a very good coincidence of the experimental and DFT-calculated IR spectra of C60+/2+/− [1, 2], DFT predictions for C70+/− IR absorptions strongly deviate from our measurements. A possible explanation for this could be low lying electronically excited states of C70+/− in the vicinity of vibrational energy levels. The corresponding non-Born-Oppenheimer case is likely of significant interest to theory.
References:
- B. Kern, D. Strelnikov, P. Weis, A. Böttcher, M. M. Kappes. J. Phys. Chem. A 2013, 117, 8251–8255.
- B. Kern, D. Strelnikov, P. Weis, A. Böttcher, M. M. Kappes. J. Phys. Chem. Lett. 2014, 5, 457–460.