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«innsbruck university press © innsbruck university press, 2014 Universität Innsbruck 1st edition All rights reserved. ISBN ...»

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Series Editors: Birgit Holzner, Tilmann D. Märk

innsbruck university press

© innsbruck university press, 2014

Universität Innsbruck

1st edition

All rights reserved.


ISBN 978-3-902936-26-4

David Stock, Roland Wester, Paul Scheier (Eds.)

XIXth Symposium on Atomic, Cluster and

Surface Physics 2014 (SASP 2014)

February 8 – 14, 2014

Obergurgl, Austria


2 SASP XIXth Symposium on Atomic, Cluster and Surface Physics 2014 (SASP 2014) February 8 – 14, 2014 Obergurgl, Austria

International Scientific Committee:

Davide Bassi (Universitá degli Studi di Trento) Tilmann D. Märk (Universität Innsbruck) Nigel Mason (Open University, UK) Martin Quack (Eidgenössische Technische Hochschule Zürich) Tom Rizzo (EPFL Lausanne) Paul Scheier (Universität Innsbruck)

Organizing Committee:

Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck Stephan Denifl, Paul Scheier and Roland Wester (chairpersons) Arntraud Bacher SASP 2014 was sponsored by Pfeiffer Vacuum Austria and Radiant Dyes Laser Acc. GmbH 2014 3 Preface The international Symposium on Atomic, cluster and Surface Physics, SASP, is a continuing biennial series of conferences, founded in 1978 by members of the Institute of Atomphysik, now Institute of Ionphysics and Applied Physics of the University of Innsbruck, Austria. SASP symposia aim to promote the growth of scientific knowledge and effective exchange of information among scientists in the field of atomic, molecular, cluster and surface physics, stressing both fundamental concepts and applications across these areas of interdisciplinary science. A major focus of SASP 2014 is on ion-molecule reactions.

Since the beginning, the SASP format has been similar to that of a Gordon Conference, with invited lectures, hot topic oral presentations, posters and ample time for discussions. The attendance to the symposium has been kept to about 100 participants to favor interdisciplinary and multidisciplinary discussions.

SASP usually takes place in Austria, but every second time, it may be held in another alpine country. So far, the SASP conferences were held in the

following locations:

1978 Zirog, Italy 1998 Going, Austria 1980 Maria Alm, Austria 2000 Folgaria, Italy 1982 Maria Alm, Austria 2002 Going, Austria 1984 Maria Alm, Austria 2004 La Thuile, Italy 1986 Obertraun, Austria 2006 Obergurgl, Austria 1988 La Plagne, France 2008 Les Diablerets, Switzerland 1990 Obertraun, Aust

–  –  –

SASP Erwin Schrödinger Gold Medal 2014 The „SASP Award for Outstanding Scientific Achievements” was initiated in 1992 by the SASP International Scientific Committee. This award is granted during the bienniel SASP meeting to one or two scientists, chosen among those who have strong connections to the activities of SASP.

The recipient of the SASP award 2014 – in the form of the “Erwin Schrödinger Gold Medal” designed by Zdenek Herman – will be

–  –  –

At previous SASP meetings the Schrödinger Gold Medal was awarded to:

1992 David Smith, Birmingham, UK 1994 Zdenek Herman, Praha, Czech Republic 1996 Werner Lindinger and Tilmann Märk, Innsbruck, Austria 1998 Eldon Ferguson, Boulder, USA and Chava Lifshitz, Jerusalem, Israel 2000 Jean H. Futrell, Richland, USA 2002 Eugen Illenberger, Berlin, Germany 2004 Anna Giardini-Guidoni, Roma, Italy 2006 Davide Bassi, Trento, Italy and Martin Quack, Zürich, Switzerland 2008 Helmut Schwarz, Berlin, Germany 2010 Kurt Becker, New York, USA 2012 Dieter Gerlich, Chemnitz, Germany and John Maier, Basel, Switzerland 6 SASP

Program2014 7

Contents Invited Papers Cryogenic ion vibrational and electronic predissociation spectroscopy Mark A. Johnson

Molecular Rydberg states and ions: high-resolution spectroscopy and electrostatic trapping Daniel Sprecher, Christian Seiler and Frédéric Merkt

The stereodynamics of inelastic scattering of NO(X) by Ar Mark Brouard, Helen Chadwick, Chris Eyles, Sean D.S. Gordon, Balazs Hornung, Bethan Nichols, F. Javier Aoiz, Arjan Gijsbertsen, Steven Stolte......22 Molecular beam studies of polyatomic multichannel nonadiabatic reaction dynamics of oxygen atoms Piergiorgio Casavecchia, Francesca Leonori, Nadia Balucani

Molecular features in complex environment: cooperative team players during excited state bond cleavage Sebastian Thallmair, Matthias Roos, Benjamin Fingerhut, Regina de VivieRiedle

Controlled complex molecules for cool chemistry and hot imaging Jochen Küpper

Cold and Controlled Collisions using Stark-decelerated molecular beams Sebastiaan Y.T. van de Meerakker

The advantages and potential of drift-tube chemical ionisation mass spectrometric techniques for the detection of threat agents Chris A. Mayhew

Mass Spectrometry and Catalysis Research: A Happy Marriage Helmut Schwarz, Nicolas Dietl, Maria Schlangen

The Method of Increments applied to Adsorption on Surfaces Beate Paulus

8 SASP Bombardment induced ion transport through glasses and polymers: conductivity measurements and diffusion profiles David Budina, Pramod V. Menezes, Martin Schäfer, Susanne Schulze, Julia Zakel, Karl-Michael Weitzel

Single particle aerosol mass spectrometry Markus Oster, Matthias Bente-von Frowein, Jürgen Schnelle-Kreis, Ralf Zimmermann

Novel Studies of Electron-Impact Induced Ionization of Atoms, Molecules and Clusters Alexander Dorn, Khokon Hossen, Xueguang Ren, Thomas Pflüger, Marvin Weyland

Velocity Slice Imaging in Dissociative Electron Attachment studies Oddur Ingólfsson and Frímann H. Ómarsson, Ewelina Szymanska, Nigel J.

Mason, E. Krishnakumar

Transient Anion States of 5-Halouracils Fábris Kossoski, Márcio T. do N. Varella, Márcio H. F. Bettega

Application of Ion-Molecule-Reactions for Atmospheric Composition Research Armin Wisthaler

Reactivity in electronically excited and ionized biomolecules and clusters M. Ryszka, B. Barc, R. Pandey, M. Dampc, S. Eden

Prospects and limitations of electronic spectroscopy in superfluid helium nano droplets Alkwin Slenczka

Dynamics of molecules and clusters in helium droplets Wolfgang E. Ernst

Cluster size dependence of vibrational frequency shifts of small molecular ions inside helium clusters Marius Lewerenz and Mirjana Mladenović

Cold Ion Spectroscopy for Structural Determination of Peptides and Proteins Natalia S. Nagornova, Vladimir Kopysov, Oleg V. Boyarkin

2014 9 Computational Studies on Magnetism in Carbon Nanostructures Frank Hagelberg, Jianhua Wu

Cluster and particle formation in helium droplets Adrian Boatwright, Cheng Feng, Daniel Spence, Elspeth Latimer, Shengfu Yang and Andrew M. Ellis, Chris Binns

Direct dynamics simulations of gas-phase SN2 nucleophilic substitution reactions.

Atomistic mechanisms and comparisons with experiment William L. Hase

Ion-neutral chemistry at ultralow energies: Dynamics of reactive collisions between laser-cooled ions and atoms in an ion-atom hybrid trap O. Dulieu, F.H.J. Hall, P. Eberle, G. Hegi, M. Raoult, M. Aymar, and S.


Scattering Quantum Dynamics of NO with Cu B. Murali Krishna, J. Lefevre, Roberto Marquardt, Graham A. Worth............72 Atmospheric pressure ion chemistry studied by Ion mobility-mass spectrometry Štefan Matejčík, Martin Sabo

Fragmentation of complex biomolecular systems upon interaction with multiply charged ions V. Vizcaino, J-C. Poully, A. Méry, S. Maclot, R. Delaunay, M. Capron, A.

Domaracka, P. Rousseau, J. Rangama, J-Y. Chesnel, L. Adoui, B.A. Huber.....80 The reactions of gas-phase dications and trications with neutral species: reactivity and dynamics Stephen D. Price

How do we reconcile the observed and modeled HCNH+ density in Titan's ionosphere?

Véronique Vuitton, Roland Thissen, Stephen J. Klippenstein, Panayotis Lavvas, Erik Vigren, Roger V. Yelle

High-Resolution Stark Spectroscopy of OH Containing Complexes in Helium Nanodroplets Paul L. Raston, Tao Liang, Gary E. Douberly

10 SASP Ion mobility spectrometry: application to protein-ligand and metal-ligand complexes Philippe Dugourd

Electron induced chemical reactions in water clusters Martin K. Beyer

What are chiral molecules good for?

Jürgen Stohner

Hot Topic Papers Two-photon excitation by polarization shaped laser pulses for improved anisotropy contrast Albrecht Lindinger

Wave packet dynamics of the gas phase collision reaction of chloride and methyl iodine Markus Kowalewski, Regina de Vivie-Riedle

Interaction of Be surfaces with fusion relevant seeding impurity and fueling ions K. Dobes, F. Aumayr, M. Köppen, C. Linsmeier, M. Oberkofler, T. Höschen, C. P. Lungu, C. Porosnicu

Surface scattering of oriented and velocity controlled diatomic molecules Nils Bartels, Kai Golibrzuch, Christof Bartels, Fabian Grätz, Daniel P.

Engelhart, Tim Schäfer, Chen Li, Daniel J. Auerbach, Alec M. Wodtke........ 113 Vibrationally Promoted Chemisorption of Water on Ni(111) P. Morten Hundt, Maarten E. van Reijzen, Rainer D. Beck

Cation reactions in electron-initiated chemistry Esther Böhler, Jonas Warneke, Petra Swiderek

Metastable hydrogen atoms from H2 molecules: towards the realization of “twin” atoms Aline Medina, G Rahmat, R Cireasa, A. Trimeche, A. Cournol, N Vanhaecke, Ginette Jalbert, F Zappa, C R de Carvalho, R F Nascimento, Ioan F Schneider, N V de Castro Faria and J Robert

2014 11 Molecular dynamics probed with free electrons: dissociation mediated by π*/σ* mixing J. Fedor, R. Janečková, O. May

Combining ion mobility, cold ion spectroscopy and mass spectrometry for investigations of gas-phase peptides Thomas R. Rizzo

A Novel Method to Measure Electronic Spectra of Cold Molecular Ions S. Chakrabarty, M. Holz, E.K. Campbell, A. Banerjee, D.Gerlich and J.P.


Molecular Dynamics Simulations of CO2 Formation in Interstellar ices M. C. van Hemert, C. Arasa, E.F. van Dishoeck, and G. J. Kroes

Rotational and Rovibrational Spectroscopy at 4K: Laser Induced Inhibition of Complex Growth Oskar Asvany, Pavol Jusko, Alexander Stoffels, Lars Kluge, Sandra Brünken, and Stephan Schlemmer

Ion-molecule reactions of relevance for astrochemistry Daniela Ascenzi, Linda Giacomozzi, Estefania Lopez-Marne, Paolo Tosi, Miroslav Polášek, Jan Žabka, Christian Alcaraz, Emilie-Laure Zins...............135 Ion trap study of O- + H2 interaction at low temperatures Š. Roučka, P. JuskoD. Mulin, I. Zymak,, R. Plašil, J. Glosík

Dynamic two-dimensional mapping of gaseous combustion and pyrolysis product concentrations in solid-fuel combustion: Looking into a burning cigarette R. Zimmermann, R. Hertz-Schünemann, S. Ehlert, C. Liu, K. McAdam, R. R.

Baker, S.Coburn, T. Streibel

Inelastic Hydrogen Atom Scattering: A new tool to investigate energy conversion processes at surfaces Oliver Bünermann, Hongyan Jiang, Yvonne Dorenkamp, Alec Wodtke.........145 Benzene Dication Jana Roithová, Juraj Jašík, Dieter Gerlich

12 SASP Prompt atom knockout in PAH++He collisions H. Zettergren, M. H. Stockett, J. D. Alexander, T. Chen, M. Gatchell, N. Haag, A. Johansson, H. A. B. Johansson, K. Kulyk, S. Rosén, H. T. Schmidt, and H.

Cederquist, P. Rousseau, L. Adoui, B. A. Huber, U. Berzins, K. Stochkel and P.


FT-ICR studies of anionic reactions for the chemistry of planetary ionospheres C. Romanzin, E. Louarn, J. Lemaire, C. Alcaraz, J. Žabka, M. Polášek, J.-C.


Synchrotron based FTIR spectroscopy of the chiral molecules CDBrClF and CHBrIF S. Albert, S. Bauerecker, K. Keppler, Ph. Lerch and M. Quack

Molecular surface dynamics by inelastic electron tunneling: rotors and unidirectional motion Tibor Kudernac, Nopporn Ruangsupapichat, Beatriz Macia, Nathalie Katsonis, Syuzanna R. Harutyunyan, Ben L. Feringa, Manfred Parschau and Karl-Heinz Ernst

Elucidating the Building and Breaking of Hydrogen Bonds:Two color delay dependent IR probing of torsional isomerization in a [AgL1L2]+ complex Maximilian Gaffga, Johannes I. Lang, Fabian Menges, Gereon NiednerSchatteburg

Contributed Papers Applications of Selective Reagent Ionisation-Time-of-Flight-Mass Spectrometry (SRI-ToF-MS) for increased selectivity in the detection of designer drugs Matteo Lanza, Kostiantyn Breiev, Tilmann D. Märk, Simone Jürschik, Philipp Sulzer, Alfons Jordan, Eugen Hartungen, Gernot Hanel, Lukas Märk, W. Joe Acton, Chris A. Mayhew

Phase transition of water clusters Isabelle Braud, Julien Boulon, Sébastien Zamith, Pierre Labastie and JeanMarc L'Hermite

2014 13 Investigations on the sensitivity and selectivity for the detection of the explosive picric acid using switchable reagent ion soft chemical ionisation mass spectrometry Ramón González-Méndez, Peter Watts, Chris A. Mayhew, Bishu Agarwal, Matteo Lanza, Philipp Sulzer, Tilmann D. Märk

Microplasmas: Where Science meets Engineering Kurt H. Becker

Reactivity of Hydrated Monovalent First Row Transition Metal Ions M+(H2O)n, M = Cr, Mn, Fe, Ni, Co, Cu and Zn toward Acetonitrile I. Herber, M. K. Beyer

Using Kr+ as Reagent Ions in a Selective-Reagent-Ionization – Mass Spectrometry (SRI-MS) Instrument Kostiantyn Breiev, Matteo Lanza, Tilmann D. Märk, Achim Edtbauer, Simone Jürschik, Philipp Sulzer, Jens Herbig, Alfons Jordan, Eugen Hartungen, Gernot Hanel, Lukas Märk, W. Joe Acton

Simulations of C60 aggregates decorated with small molecules Alexander Kaiser, Andreas Mauracher, Paul Scheier, Michael Probst, Olof Echt, Frank Hagelberg

Pendular-state wavepacket dynamics and non-adiabatic effects of state-selected OCS molecules Sebastian Trippel, Terry Mullins, Nele Müller, Jens Kienitz, Jochen Küpper 184 Mass spectrometric investigation of reaction intermediates Anton Škríba, Jana Roithová

Intermolecular Coulombic electron capture driven electron emission of hydrated alkaliearth metal dications Kevin Klawitter, Jusuf M. Khreis, Stephan Denifl

Ion-Surface Collisions of Low-Energy Ions Ar+, N2+ and D2+ with Surfaces of Mixed Beryllium-Tungsten Thin Films Martina Harnisch, Paul Scheier, Zdenek Herman

Revealing the Gas Phase Structure of Cationic Gold(I) Complexes by Ion Spectroscopy Jiří Schulz, Jana Roithová

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