Mainz 2017 – scientific programme
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MO: Fachverband Molekülphysik
MO 4: Spectroscopy of Cold Molecules and Complexes
MO 4.3: Talk
Monday, March 6, 2017, 17:30–17:45, N 25
Multi-spectroscopic analyses of diphenyl ether complexes with tert-butyl alcohol and water in the electronic ground and excited state — •Dominic Bernhard1, Fabian Dietrich1, Mariyam Fatima2, Anja Poblotzki3, Martin Suhm3, Melanie Schnell2, and Markus Gerhards1 — 1Fachbereich Chemie, TU Kaiserslautern — 2MPI für Struktur und Dynamik der Materie, Hamburg — 3Institut für Physikalische Chemie, Universität Göttingen
Diphenyl ether (DPE) represents a system with competing docking sites for alcohols leading to OH-O and OH-π structures. Recently the DPE – methanol complex was investigated in a multi-spectroscopic work in the electronic ground state (S0) where a dominating OH-π structure was found in agreement with theory. In the electronically excited state (S1) the OH-π interaction is strengthened which was revealed in a combined IR/UV spectroscopic and theoretical work. Starting from these findings complexes of DPE with tert-butyl alcohol and water are investigated which are supposed to be completely different dispersion energy donors. For both complexes FTIR, microwave and mass- and isomer-selective IR/R2PI spectra were recorded revealing two co-existing OH-O and OH-π isomers in the S0 state which are surprisingly in both cases predicted to be almost equally stable. In the S1 state of DPE – tert-butyl alcohol vibrational spectra could be recorded separately for both isomers using UV/IR/UV spectroscopy; a retention of each structural motif is obtained, but the OH-O bond is weakened for the OH-O arrangement and the OH-π interaction is strengthened in the case of the OH-π isomer.