Rostock 2019 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 3: Ultrafast Processes in Solution
MO 3.4: Vortrag
Montag, 11. März 2019, 11:30–11:45, S HS 001 Biologie
Microsolvation vs. Acid Dissociation at 0.4 K: Sequence Matters — •Devendra Mani1, Ricardo Pérez de Tudela2, Raffael Schwan1, Nitish Pal1, Saskia Körning2, Harald Forbert2, Britta Redlich3, Lex van der Meer3, Gerhard Schwaab1, Dominik Marx2, and Martina Havenith1 — 1Lehrstuhl für Physikalische Chemie II, Ruhr-Universität Bochum, 44801 Bochum, Germany. — 2Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany. — 3FELIX laboratory, Institute for Molecules and Materials, Radboud University, 6325 ED Nijmegen, The Netherlands.
Acid dissociation in the aqueous medium is of fundamental importance. In order to understand the fundamental steps of this reaction, many experimental and theoretical studies have been carried out on small HCl-H2O clusters, in the past.[1-3]
We have studied the dissociation of HCl on stepwise addition of H2O molecules, in helium droplets. Ultrabright pulsed-free electron lasers, at FELIX laboratory in Nijmegen, were used to measure the umbrella motion of the H3O+ moiety of the dissociated H3O+(H2O)3Cl− cluster, in the frequency range of 1000-1700 cm−1. Our experiments along with high-level ab initio MD simulations show that the dissociation of HCl is highly specific of the sequence in which molecular aggregation takes place. Details will be presented in the talk.
References: 1. H. Forbert, et al. J. Am. Chem. Soc., 2011, 133, 4062-4072. 2. A. Gutberlet et al.,2009, 324, 1545-1548. 3. J. S. Mancini and J. M. Bowman, Phys. Chem. Chem. Phys., 2015, 17, 6222-6226.