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Molecular & Ionic Clusters
Gordon Research Conference

Molecular Clusters from Bimolecular Complexes to the Onset of Bulk Matter

Dates

January 17-22, 2016

Location

Four Points Sheraton / Holiday Inn Express
Ventura, CA

Organizers

Chairs:
Mathias Weber & Otto Dopfer

Vice Chairs:
Gary Douberly & Ruth Signorell

Meeting Description

The Gordon Research Conference on Molecular and Ionic Clusters focuses on the study of small to very large aggregates of atoms and molecules. Clusters represent a fascinating class of objects and are addressed by a strongly interdisciplinary community of experimentalists and theorists. They serve as a bridge between single atoms or molecules and bulk matter, and cluster research advances our understanding of how molecular interactions and emergent phenomena evolve as atoms or molecules aggregate. Because of their large surface-to-volume ratio and structural and electronic quantum confinement effects, clusters do not just show a smooth evolution of their properties with increasing size. Instead, they often display unique size-dependent properties that greatly differ from those of both their individual constituents as well as bulk matter. Hence, clusters can in many ways be understood as a unique state of matter. In addition to their exciting and unique size-dependent structural, electronic, optical, and chemical properties, clusters afford detailed molecular-level insight into some of the most fundamental phenomena and processes encountered in physical chemistry and molecular physics. As such, cluster research is strongly interdisciplinary and highly relevant in fields as diverse as biophysics, materials science, soft matter research and catalysis.

Sessions in this GRC highlight recent state-of-the-art work in the use of clusters to study chiral interactions, non-covalent interactions of biomolecules, and microsolvation processes of neutral and charged molecules, with one session devoted to dynamical phenomena. Further sessions focus on atmospherically relevant clusters ranging from small aggregates to aerosols and explore the limit of giant clusters and liquid beams, and one session will address special properties of metal containing and inorganic clusters. Experimental techniques to study clusters include sophisticated methods ranging from molecular beams and cryogenic ion traps to ultracold helium droplets and liquid jets, mass spectrometry, scattering, and spectroscopic techniques in the microwave to the XUV range. The abilities to vary the size, composition, degree of solvation, charge state, temperature, and quantum state of clusters and to obtain molecular-level information on complex systems make cluster research ideal for comparing benchmark experimental data with various theoretical approaches. Thus, the interaction of theory and experiment has been particularly fruitful in this field. Consequently, computational and theoretical work will be featured throughout the conference, including a session on recent progress in the theoretical description of clusters. The presentations at this GRC will feature invited talks, contributed oral presentations on late-breaking topics and poster sessions.

Related Meeting

This GRC was held in conjunction with the "Molecular & Ionic Clusters" Gordon Research Seminar (GRS). Refer to the associated GRS program page for more information.

Contributors

Final Meeting Program

Sunday
4:00 pm - 8:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmChiral Interactions in Clusters
Discussion Leader: Yunjie Xu (University of Alberta, Canada)
7:40 pm - 7:45 pmOpening Remarks
7:45 pm - 8:00 pmIntroduction by Discussion Leader
8:00 pm - 8:35 pmAnne Zehnacker-Rentien (CNRS ISMO, France)
"Stereochemical Effects in Photochemistry of Isolated Clusters"
8:35 pm - 8:45 pmDiscussion
8:45 pm - 9:20 pmLaurent Nahon (Synchrotron SOLEIL, France)
"Photoelectron Circular Dichroism on Chiral Free Molecules and Clusters"
9:20 pm - 9:30 pmDiscussion
Monday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmBiomolecular Clusters
Discussion Leader: Sonia Melandri (Universita Degli Studi di Bologna, Italy)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:50 amSteen Brondsted Nielsen (Aarhus University, Denmark)
"Spectroscopy of Chlorophyll Ions and Clusters: Shedding Light on Exciton States"
9:50 am - 10:00 amDiscussion
10:00 am - 10:10 amEric Gloaguen (Centre National de la Recherche Scientifique (CNRS), France)
"Gas Phase Spectroscopy of Neutral Contact Ion Pairs"
10:10 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:20 amGert von Helden (Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany)
"Peptides and Proteins in Liquid Helium Droplets"
11:20 am - 11:30 amDiscussion
11:30 am - 11:40 amShun-Ichi Ishiuchi (Tokyo Institute of Technology, Japan)
"Gas Phase Spectroscopy of Complex of Adrenaline and Its Binding Site of Adrenoceptor"
11:40 am - 11:45 amDiscussion
11:45 am - 12:20 pmJose Alonso (Universidad de Valladolid, Spain)
"Rotational Spectroscopy of Microhydrated Biomolecules"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
3:00 pm - 4:00 pmPower Hour
The GRC Power Hour is an optional informal gathering open to all meeting participants. It is designed to help address the challenges women face in science and support the professional growth of women in our communities by providing an open forum for discussion and mentoring.
Organizer: Anne McCoy (University of Washington, USA)
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmDynamics in Clusters
Discussion Leader: Oliver Gessner (Lawrence Berkeley National Laboratory, USA)
7:30 pm - 7:45 pmIntroduction by Discussion Leader
7:45 pm - 8:20 pmMasaaki Fujii (Tokyo Institute of Technology, Japan)
"Picosecond Time-Resolved IR/NIR Spectroscopy on Intra-Cluster Structural Dynamics"
8:20 pm - 8:30 pmDiscussion
8:30 pm - 8:40 pmDaniel Strasser (Hebrew University of Jerusalem, Israel)
"Intense Field Double-Detachment of Atomic, Molecular and Cluster Anions"
8:40 pm - 8:45 pmDiscussion
8:45 pm - 9:20 pmMarie-Pierre Gaigeot (University of Évry Val d'Essonne, France)
"DFT-MD Simulations for Anharmonic Vibrational Spectroscopy of Gas Phase Molecules and Clusters"
9:20 pm - 9:30 pmDiscussion
Tuesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmTheoretical Treatment of Structures and Excitations in Clusters
Discussion Leader: Anne McCoy (University of Washington, USA)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:50 amStefan Grimme (Universitat Bonn, Germany)
"Consistent Structures and Interactions by Density Functional Theory for Molecules, Their Aggregates, and Molecular Crystals"
9:50 am - 10:00 amDiscussion
10:00 am - 10:10 amSamer Gozem (University of Southern California, USA)
"Calculations of Photoionization and Photodetachment Cross Sections Using Correlated Dyson Orbitals and Simple Model Wavefunctions of the Ejected Electrons"
10:10 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:20 amRoland Mitric (Universität Würzburg, Germany)
"Light-Induced Dynamics in Clusters and Molecular Aggregates"
11:20 am - 11:30 amDiscussion
11:30 am - 11:40 amJer-Lai Kuo (Academia Sinica, Taiwan)
"Vibrational Motion of Zundel Form of Proton"
11:40 am - 11:45 amDiscussion
11:45 am - 12:20 pmPavel Jungwirth (Academy of Sciences, Czech Republic)
"The Hydrated Electron: From Water Clusters to the Aqueous Bulk"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmAtmospheric Clusters and Aerosols
Discussion Leader: Martin Beyer (University of Innsbruck, Austria)
7:30 pm - 7:45 pmIntroduction by Discussion Leader
7:45 pm - 8:20 pmVeronica Vaida (University of Colorado Boulder, USA)
"Building Complexity in the Natural Environment: Clusters, Polymers and Atmospheric Aerosols"
8:20 pm - 8:30 pmDiscussion
8:30 pm - 8:40 pmChristian Van Der Linde (University of Innsbruck, Austria)
"(Photo)Chemistry of Organic Compounds on a Salt Cluster"
8:40 pm - 8:45 pmDiscussion
8:45 pm - 9:20 pmHenrik Kjaergaard (Københavns Universitet, Denmark)
"Combining Theory and Experiment to Accurately Determine ΔG of Bimolecular Complexes"
9:20 pm - 9:30 pmDiscussion
Wednesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmH-Bonded Networks and Microsolvation
Discussion Leader: Mark Johnson (Yale University, USA)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:50 amKnut Asmis (Universitaet Leipzig, Germany)
"Far-IR Studies of Size-Selected Microsolvated Clusters"
9:50 am - 10:00 amDiscussion
10:00 am - 10:10 amMelanie Schnell (Max Planck Institute for the Structure and Dynamics of Matter, Germany)
"Chiral Molecular Clusters Studied with Broadband Rotational Spectroscopy and Microwave Three-Wave Mixing"
10:10 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:20 amTakayuki Ebata (Hiroshima University, Japan)
"Effect of Solvation on Conformation Preference of Inclusion Complexes"
11:20 am - 11:30 amDiscussion
11:30 am - 11:40 amLuca Siffert (University of Bern, Switzerland)
"Gas-Phase Microsolvation of an Adenine Analogue"
11:40 am - 11:45 amDiscussion
11:45 am - 12:20 pmEvan Williams (University of California, Berkeley, USA)
"New Insights into Ion Solvation from Ions in Nanodrops"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmUltracold Clusters
Discussion Leader: Thomas Rizzo (École Polytechnique Fédérale de Lausanne, Switzerland)
7:30 pm - 7:45 pmIntroduction by Discussion Leader
7:45 pm - 8:20 pmStephan Schlemmer (University of Cologne, Germany)
"On the Attachment of He to Cold Molecular Ions"
8:20 pm - 8:30 pmDiscussion
8:30 pm - 8:40 pmJoseph Brice (University of Georgia, USA)
"On the Stark and Zeeman Effects in Open Shell Complexes Exhibiting Partially Quenched Electronic Angular Momentum: Infrared Laser Spectroscopy of OH-C2H2"
8:40 pm - 8:45 pmDiscussion
8:45 pm - 9:20 pmAndrey Vilesov (University of Southern California, USA)
"Coherent Diffraction Imaging with Superfluid Helium Nano-Droplets"
9:20 pm - 9:30 pmDiscussion
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmMetal-Containing and Inorganic Clusters
Discussion Leader: Michael Duncan (University of Georgia, USA)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:50 amCaroline Chick Jarrold (Indiana University, USA)
"Heteronuclear Pt-Ce Oxide Clusters"
9:50 am - 10:00 amDiscussion
10:00 am - 10:10 amJennifer Mohrbach (Technische Universität Kaiserslautern, Germany)
"Cryo Kinetics of N2 Adsorption on Size Selected Nickel Cluster Cations"
10:10 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:20 amLai-Sheng Wang (Brown University, USA)
"From Planar Boron Clusters to Borophenes and Borospherenes"
11:20 am - 11:30 amDiscussion
11:30 am - 11:40 amFabian Menges (Yale University, USA)
"Formate Formation and Competing Reactions in CO2 Activation at a Diiron Complex"
11:40 am - 11:45 amDiscussion
11:45 am - 12:20 pmEtienne Garand (University of Wisconsin-Madison, USA)
"Hydrogen-Bonding Network Around Catalytic Water Oxidation Intermediates"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmGiant Clusters and Liquids
Discussion Leader: Julia Laskin (Pacific Northwest National Laboratory, USA)
7:30 pm - 7:45 pmIntroduction by Discussion Leader
7:45 pm - 8:20 pmSotiris Xantheas (Pacific Northwest National Laboratory, USA)
"Extending the Size Regime of Molecular Clusters: Computational Challenges and Opportunities"
8:20 pm - 8:30 pmDiscussion
8:30 pm - 8:40 pmSatrajit Chakrabarty (ETH Zürich, Switzerland)
"Can Gas Phase Nucleation Be Observed at the Molecular Level?"
8:40 pm - 8:45 pmDiscussion
8:45 pm - 9:20 pmStephen Bradforth (University of Southern California, USA)
"Photoelectron Processes in Liquid Water: Scattering, Ionization and New Methods for Probing Elementary Reactivity"
9:20 pm - 9:30 pmDiscussion
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture
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