Berlin 2014 – scientific programme

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MO: Fachverband Molekülphysik

MO 11: Biomolecules 1

MO 11.4: Talk

Wednesday, March 19, 2014, 14:45–15:00, BEBEL HS213

Elucidating the Building and Breaking of Hydrogen Bonds: Two color delay dependent IR probing of torsional isomerization — •Johannes Lang, Maximilian Gaffga, Fabian Menges, Kevin Muller, Werner Thiel, and Gereon Niedner-Schatteburg — Technische Universität Kaiserslautern, Germany

Infrared multiple-photon dissociation (IR-MPD) spectroscopy can be used to characterize organometallic complexes in the gas phase [1]. Here, we investigate a flexible arrangement of a single Ag(I) center with two suitable ligands via IR MPD spectroscopy and density functional theory (DFT) based calculations. Bands of at least two isomers can be assigned in the experimental spectrum. These bands correspond to NH---O or CH---O stabilized rotational conformers, in which the Ag(I) ion serves as a pivot. Delay dependent two color IR-MPD measurements elucidate changes of the relative isomer population. We characterize rotational barriers, the change of vibrational frequencies and IR intensities along the isomerization pathway by DFT based calculations [2].

References:

[1] Nosenko, Y., et al., Physical Chemistry Chemical Physics, 2013. 15(21): p. 8171-8178.

[2] Gaffga, M., Lang, J.I., Menges, F., Muller, K., Thiel, W., Niedner-Schatteburg, G., manuscript in preparation. 2014.