on 69th Supported by: University of Illinois University Urbana-Champaign at YMPOSIUM NTERNATIONAL Molecular I S Spectroscopy The U.S. Army Research Office Research Army The U.S. June 16 - 20, 2014 2014 International Symposium on Molecular Spectroscopy 69th MONDAY TUESDAY WEDNESDAY THURSDAY FRIDAY June 16 June 17 June 18 June 19 June 20 8:45 AM 8:30 AM 8:30 AM 8:30 AM 8:30 AM Theater MA WA Lincoln Hall Plenary Plenary Room 116 TA RA FA Roger Adams Lab Astronomy Mini-symposium: Mini-symposium: Astronomy/ALMA Astronomy/ALMA Room 100 TB RB FB Noyes Laboratory Instrument/Technique Clusters/Complexes Clusters/Complexes Demonstration Room B102 TC RC FC Chemical and Life Mini-symposium: Theory and Computation Theory and Computation Sciences Kinetics/Dynamics Room 112 TD RD FD Chemistry Annex Biology, natural substances Fundamental interest Chirped pulse Room 274 TE RE FE Medical Sciences Structure determination Chirped pulse Planetary atmospheres Building LUNCH BREAK AFTERNOON SESSIONS RESUME AT 1:30 PM Room 116 MF TF WF RF Roger Adams Lab Astronomy Mini-symposium: Mini-symposium: Mini-symposium: Astronomy/ALMA Astronomy/ALMA Astronomy/ALMA Room 100 MG TG WG RG Noyes Laboratory Small molecules Mini-symposium: Ions Mini-symposium: Ions Mini-symposium: Ions Room B102 MH TH WH RH Chemical and Life Mini-symposium: Mini-symposium: Mini-symposium: Cold/Ultra-cold/Physics Sciences Kinetics/Dynamics Kinetics/Dynamics Kinetics/Dynamics Room 112 MI TI WI RI Chemistry Annex Radicals Atmospheric science Comparing theory Matrix isolation and experiment (and droplets) Room 274 MJ TJ WJ RJ Medical Sciences Analytical, Combustion, Plasma Instrument/Technique Structure determination Large amplitude motions, Building Demonstration internal rotation Room 217 MK TK Noyes Laboratory Linelists, Lineshapes, Collisions Metal containing Welcome to the 69th International Symposium on Molecular Spectroscopy June 16‐20, 2014 Urbana‐Champaign, IL On behalf of the Executive Committee, I extend a heartfelt welcome to all the attendees of the 69th Symposium and welcome you to the University of Illinois at 69th International Symposium on Urbana‐Champaign. Molecular Specroscopy The Symposium presents research in fundamental molecular spectroscopy and Authored by Benjamin J. McCall a wide variety of related fields and applications. The continued vitality and 8.5" x 11.0" (21.59 x 27.94 cm) significance of spectroscopy is annually re‐affirmed by the number of talks, their Black & White on White paper 310 pages variety, and the fact that many are given by students. These presentations are the ISBN-13: 9781499388657 heart of the meeting and are documented by this Abstract Book. Equally important is ISBN-10: 1499388659 the information flowing from informal exchanges and discussions. As organizers, we strive to provide an environment that facilitates both kinds of interactions. The essence of the meeting lies in the scientific discussions and your personal experiences this week independent of the number of times that you have attended this meeting. It is our sincere hope that you will find this meeting informative and enjoyable both scientifically and personally, whether it is your first or 50th meeting. If we can help to enhance your experience, please do not hesitate to ask the Symposium staff or the Executive Committee. Ben McCall Symposium Chair SCHEDULE OF TALKS ABSTRACTS Monday (M) ......................................... 1 Monday (M) ........................................... 40 Tuesday (T) ........................................ 8 Tuesday (T) .......................................... 84 Wednesday (W) ............................... 19 Wednesday (W) ................................... 148 Thursday (R) .................................... 25 Thursday (R) ....................................... 184 Friday (F) ........................................... 35 Friday (F) ............................................. 246 AUTHOR INDEX ................................. 274 VENUE AND SPONSOR INFORMATION FOLLOWS AUTHOR INDEX 69th INTERNATIONAL SYMPOSIUM Picnic ON MOLECULAR SPECTROSCOPY The Symposium picnic will be held on Wednesday evening, June 18, at Ikenberry Commons. The cost of the picnic is included in your registration (at below cost to students), so that all may attend the event. The Coblentz Society is the host for refreshments for one hour starting at 6:15 PM. Food will be served International Advisory Committee Executive Committee Allan Cheung, University of Hong Kong Ben McCall, Chair starting at 7:00 PM. Jose Domenech, CSIC Brian DeMarco Brian Drouin, NASA Jet Propulsion Laboratory Dana Dlott Sponsorship Thomas Giesen, Universität Kassel Gary Eden Michael Heaven*, Emory University, Chair Nick Glumac Mark Johnson, Yale University Martin Gruebele We are pleased to acknowledge the many organizations that support the 69th Symposium. Principal Hideto Kanamori, Tokyo Institute of Technology So Hirata funding comes from the Army Office of Research (ARO). We are most grateful to ARO for their long‐ Isabelle Kleiner, CNRS Leslie Looney standing support. We also acknowledge the many efforts and contributions of The University of Illinois Sang Kuk Lee, Pusan National University Dave Woon in hosting the meeting, including financial contributions from the Office of the Vice Chancellor for Terry Miller, Ohio State University Research and the Departments of Chemistry, Electrical and Computer Engineering, Astronomy, Physics, Nasser Moazzen‐Ahmadi*, University of Calgary Please send correspondence to Trevor Sears*, Brookhaven National Laboratory Ben McCall and Mechanical Science and Engineering. Ned Sibert*, University of Wisconsin International Symposium on Molecular Spectroscopy David Skatrud, Army Research Office Department of Chemistry Our Corporate Sponsors are Bristol Instruments, Coherent, Elsevier/JMS, Ideal Vacuum Products, Mary Ann Smith*, NASA Langley Research Center 600 S. Mathews Avenue Journal of Physical Chemistry A, Newport/Spectra‐Physics, Quantel, and Virginia Diodes. Please Jonathan Tennyson, University College London Champaign IL 61801 USA see the back of this book for their advertisements. Jennifer van Wijngaarden, University of Manitoba e‐mail: [email protected] Jun Ye, JILA, University of Colorado and NIST http://isms.illinois.edu * steering committee member Special Sessions For the 69th Symposium, three mini‐symposia have been organized: Astronomical Molecular Spectroscopy in the Age of ALMA Organized by Leslie Looney (University of Illinois) and Anthony Remijan (NRAO). This mini‐ symposium will present new observational and experimental results that highlight the improvements in our understanding of molecular astronomy over the last few years. Invited Speakers: Ted Bergin (University of Michigan) and Geoff Blake (Caltech) Beyond the Mass‐to‐Charge Ratio: Spectroscopic Probes of the Structures of Ions Organized by Mike Duncan (University of Georgia) and Tim Zwier (Purdue). This mini‐symposium will cover a variety of experimental and computational approaches to the spectroscopy and structure of molecular ions and their clusters. Invited Speakers: Knut Asmis (Universität Leipzig), Yuan‐Pern Lee (National Chiao Tung University), Cheuk Ng (University of California Davis) Spectroscopy in Kinetics and Dynamics We are also pleased to acknowledge Agilent Technologies, Block Engineering, Bruker Optics, Continuum, Daylight Solutions, IMRA, Litron Lasers, Lockheed Martin Aculight, Menlo Systems, and Organized by Martin Gruebele (University of Illinois) and Ian Sims (Université de Rennes 1). This mini‐ Princeton Instruments as Contributing Sponsors. symposium embraces any research that uses spectroscopic techniques to elucidate the dynamics and kinetics of molecular systems. Invited Speakers: Joel Bowman (Emory University), Ian Sims (Université IOS Press and Canadian Light Source have special inserts in your conferee packet. Bruker Optics will de Rennes 1), Toshinori Suzuki (Kyoto University) have a special Tuesday lunch presentation by Dr. Sergey Shilov entitled Time‐resolved FT‐IR spectroscopy for fast reaction monitoring (see your packet for a flyer). Our sponsors will have exhibits at the Symposium and we encourage you to visit their displays. Rao Prize CHEMISTRY LIBRARY The Chemistry Library will be open and available for your use during Symposium hours. The library has a number of computers, desks and tables to work at, and comfy chairs (and books!). The three Rao Prizes for the most outstanding student talks at the 2013 meeting will be presented. The winners are Brett McGuire, California Institute of Technology; Gerard Dean O'Connor, University of READY ROOM/STATION Sydney; and Stefan Truppe, Imperial College London. The Rao Prize was created by a group of spectroscopists who, as graduate students, benefited from the emphasis on graduate student We have set up Noyes Lab 164 as a “Ready Room” with computers that you can use to test your participation, which has been a unique characteristic of the Symposium. This year three more Rao Prize powerpoint presentation. If you have any problems, we will also have a staffed “Ready Station” in Noyes winners will be selected. Lab 165 (right next to registration) where you can come for assistance. The award is administered by a Prize Committee chaired by Yunjie Xu, University of Alberta, and COMPUTER LAB (VizLab) comprised of Kevin Lehmann, University of Virginia; Brooks Pate, University of Virginia; Rebecca Peebles, Eastern Illinois University; Brenda Winnewisser, The Ohio State University and Tim Zwier, Purdue