Erlangen 2018 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 7: High Resolution Spectroscopy
MO 7.6: Vortrag
Montag, 5. März 2018, 17:30–17:45, PA 1.150
The role of dispersion in the structure of diphenyl ether aggregates — •Fabian Dietrich1, Dominic Bernhard1, Mariyam Fatima2, Anja Poblotzki3, Martin Suhm3, Melanie Schnell2, and Markus Gerhards1 — 1Physical Chemistry and Research Center Optimas, TU Kaiserslautern, Germany — 2DESY Hamburg, Germany — 3Physical Chemistry, University Göttingen, Germany
Dispersion interactions can play an important role to understand unusual binding behaviors. This is illustrated here by a systematic study on the structural preferences of diphenyl ether (DPE)-alcohol aggregates, for which either an OH-O or an OH-π bound isomer can be formed. The alcohol molecules range from methanol to adamantanol. Investigations of the DPE-water complex complete this series. The experimental investigations are performed by IR/UV-methods, mirco- wave spectroscopy, and FTIR spectroscopy, tightly connected with a detailed theoretical analysis. The resulting solvent-size-dependent trend on the structural preference turns out to be counter-intuitive, i.e., the hydrogen-bonded OH-O structures become more stable for larger alcohols, which are expected to be stronger dispersion energy donors and thus should prefer an OH-π arrangement. Quantification of dispersion interactions in combination with the twisting of the ether upon solvent aggregation are found to be a key for understanding this preference.