Hannover 2016 – scientific programme

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MO: Fachverband Molekülphysik

MO 3: Electronic Spectroscopy 1

MO 3.2: Talk

Monday, February 29, 2016, 14:45–15:00, f102

Electronic Spectra of 2- and 3-Tolunitrile in the Gas Phase — •Felix Gmerek, Josefin Wilke, Martin Wilke, Benjamin Stuhlmann, and Michael Schmitt — Heinrich-Heine-Universität, Düsseldorf, Germany

The electronic structures of tolunitriles find considerable interest, because they are prototypes for small aromatic push-pull systems containing an electron pushing methyl-group and an electron pulling nitrile-group.

Therefore, we investigated the structure of 2- and 3-tolunitrile by combining the results of single vibronic level fluorescence (SVLF) spectroscopy^[1] and rotationally resolved laser induced fluorescence (HRLIF) spectroscopy^[2], which allows us to determine the structural changes upon electronic excitation, via a combined Franck-Condon/rotational constants fit with unique accuracy.

Additionally, the torsional barriers of the methyl groups, determined via SVLF and HRLIF spectroscopy, respectively, have been used as a probe for the structural changes upon electronic excitation for both molecules.

[1] J. A. Ruiz-Santoyo, J. Wilke, M. Wilke, J. T. Yi, D.W. Pratt, M. Schmitt, L. Álvaret-Valtierra, JCP, 2015, submitted

[2] F. Gmerek, B. Stuhlmann, L. Álvaret-Valtierra, D. W. Pratt, M. Schmitt, JCP, 2015, submitted