Microsolvation studies in Helium nanodroplets: A status report RUHR UNIVERSITY BOCHUM Department Chemistry and Biochemistry Physical Chemistry II Microsolvation studies in Helium nanodroplets: A status report Gerhard Schwaab, Matin Kaufmann, Daniel Leicht, Raffael Schwan, Theo Fischer, Devendra Mani, Martina Havenith
Water Spectrum@ 26°C Bertie & Lan, Appl. Spectr. 50, 147,1996
HCl(aq): IR fingerprint region (ATR) 1.0M HCl/HBr water Kim et al., (2002). J.Chem.Phys.116, 737
HCl(aq): THz/FIR fingerprint Eigen Complex Decka, Schwaab, Havenith, (2015). PCCP17, 11898
Microsolvation in He nanodroplets Challenges: Fixed temperature Non-equilibrium structures stabilized Broad droplet size distribution Advantages: Weak He dopant interaction Superfluid matrix 0.37 K: Few states populated Ultracold aggregation Non-equilibrium structures stabilized Matrix assisted reactions
Experimental Setup: HENDI Expansion Pick-up Excitation QMS Size selective detection of neutral species (0.37 K)
HCl water clusters: Experimental 1 Farnik et al., (2003). J.Chem.Phys.118, 10120
HCl water clusters: Experimental 2 Letzner et al, (2013). J.Chem.Phys.139, 154304 Flynn et al., (2010). J.Phys.Chem.Lett.1, 2233
HCl water clusters: Theory Lin & Paesani, (2015). J.Phys.Chem. A, 119, 4450 Born-Oppenheimer-MD@50K Sym. Mancini & Bowman. (2015) PCCP, 17, 6222 Strong anharmonicity Zero point delocalization Asym.
Requirement: Extended Spectral Coverage Microsolvation Requirement: Extended Spectral Coverage
Extension 1: Quantum Cascade Lasers Daylight solutions
Small water clusters in the bending region
Extension 2: FELIX Facility Nijmegen
First results: small water clusters
Summary Microsolvation including ion formation is challenging: Quantum Character of Proton Solution: Extended frequency coverage QCL: water bending mode FELIX: libration band small water clusters Outlook: Microsolvation of neutral species Ionisation reactions
Acknowledgements T. Fischer R. Schwan M. Kaufmann D. Mani D. Leicht K. Hanke M. Havenith Photofragmentation Mass Spectrometry