Hannover 2016 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 17: Electronic Spectroscopy 2
MO 17.4: Vortrag
Donnerstag, 3. März 2016, 15:15–15:30, f102
Investigations on the isolated diphenyl ether-methanol complex by combined IR/UV spectroscopy in the electro-nically excited and the ionic state — •Dominic Bernhard1, Anke Stamm1, Fabian Dietrich1, Christof Holzer2, Willem Klopper2, and Markus Gerhards1 — 1Fachbereich Chemie, TU Kaiserslautern — 2Institut für Physikalische Chemie, KIT
Dispersion interactions are ubiquitous regarding intermolecular interactions. Their relative contributions strongly vary depending on the investigated system and the theoretical prediction of these contributions is challenging. Diphenyl ether represents a system with competing docking sites for methanol: the ether oxygen atom as a well-known hydrogen bond acceptor and the two phenyl rings as dispersion energy donors can lead to π binding. Interestingly, both calculated binding motifs are predicted to be almost equally stable, requiring an experimental verification. Therefore, we investigated the diphenyl ether-methanol complex in molecular beam experiments using IR/UV and IR/IR/UV spectroscopy in the electronic ground state (S0), the electronically excited state (S1) and the ionic ground state (D0). In the S0 state the OH· · · π type structure is dominating, whereas the slightly less stable OH· · ·O isomer is far less abundant (cooperation with the groups of Prof. Martin Suhm, University of Göttingen and PD Melanie Schnell, MPSD Hamburg). This talk will be focussed on the results for the S1 and D0 state. In the S1 state different isomers are discussed and compared with theory. A structural rearrangement takes place in the D0 state due to electrostatic effects.