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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.