on 71st 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 20 - 24, 2016 2016 International Symposium on Molecular Spectroscopy 71st MONDAY TUESDAY WEDNESDAY THURSDAY FRIDAY June 20 June 21 June 22 June 23 June 24 8:30 AM 8:30 AM 8:30 AM 8:30 AM 8:30 AM Foellinger Auditorium MA RA Plenary Plenary Room 100 TA WA FA Noyes Laboratory Mini-symposium: Spectroscopy Mini-symposium: Spectroscopy Fundamental physics of Large Amplitude Motions of Large Amplitude Motions Room 116 TB WB FB Roger Adams Mini-symposium: Spectroscopy Mini-symposium: Spectroscopy Instrument/Technique Laboratory in Atmospheric Chemistry in Atmospheric Chemistry Demonstration Room 274 TC WC FC Medical Sciences Instrument/Technique Chirped pulse Chirped pulse Building Demonstration Room B102 TD WD FD Chemical and Life Mini-symposium: Mini-symposium: Dynamics and kinetics Sciences Spectroscopy in Traps Spectroscopy in Traps Room 217 TE WE FE Noyes Laboratory Fundamental interest (Hyper)fine structure, Synchrotron tunneling LUNCH BREAK AFTERNOON SESSIONS RESUME AT 1:30 PM Room 100 MF TF WF RF Noyes Laboratory Mini-symposium: Spectroscopy Mini-symposium: Spectroscopy Mini-symposium: Spectroscopy Radicals of Large Amplitude Motions of Large Amplitude Motions of Large Amplitude Motions Room 116 MG TG WG RG Roger Adams Mini-symposium: Spectroscopy Mini-symposium: Spectroscopy Clusters/Complexes Clusters/Complexes Laboratory in Atmospheric Chemistry in Atmospheric Chemistry Room 274 MH TH WH RH Medical Sciences Ions Astronomy Astronomy Astronomy Building Room B102 MI TI WI RI Chemical and Life Structure determination Clusters/Complexes Mini-symposium: Metal containing Sciences Spectroscopy in Traps Room 217 MJ TJ WJ RJ Noyes Laboratory Conformers, isomers, chirality, Vibrational Small molecules Comparing theory stereochemistry structure/frequencies and experiment Room 140 MK TK WK Burrill Hall Matrix isolation (and droplets) Theory and Computation Spectroscopy as an analytical tool ͹ͳ ʹͲǦʹͶǡʹͲͳ͸ Ǧǡ OnbehalfoftheExecutiveCommittee,Iextendaheartfeltwelcometoallthe attendeesofthe71stSymposiumandwelcomeyoutotheUniversityofIllinoisat 71st International Symposium on UrbanaǦChampaign. Molecular Spectroscopy TheSymposiumpresentsresearchinfundamentalmolecularspectroscopyand Authored by Benjamin J. McCall awidevarietyofrelatedfieldsandapplications.Thecontinuedvitalityand 8.5" x 11.0" (21.59 x 27.94 cm) significanceofspectroscopyisannuallyreǦaffirmedbythenumberoftalks,their Black & White on White paper 302 pages variety,andthefactthatmanyaregivenbystudents.Thesepresentationsarethe heartofthemeetingandaredocumentedbythisAbstractBook.Equallyimportantis ISBN-13: 9781533053909 ISBN-10: 1533053901 theinformationflowingfrominformalexchangesanddiscussions.Asorganizers,we strivetoprovideanenvironmentthatfacilitatesbothkindsofinteractions. Theessenceofthemeetingliesinthescientificdiscussionsandyourpersonal experiencesthisweekindependentofthenumberoftimesthatyouhaveattendedthis meeting.Itisoursincerehopethatyouwillfindthismeetinginformativeand enjoyablebothscientificallyandpersonally,whetheritisyourfirstor50thmeeting.If wecanhelptoenhanceyourexperience,pleasedonothesitatetoasktheSymposium staffortheExecutiveCommittee. BenMcCall SymposiumChair SCHEDULEOFTALKS ABSTRACTS ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͶͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͺ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͺʹ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳͻ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳͶͺ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͵Ͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹͲͻ ȋ ȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͵͸ ȋ ȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹͶ͵ ǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹ͸͸ ͹ͳ ȋǨȌ Tuesdayevening Ǥ ȋ ȌǡǤCoblentz SocietyǤ Ǥ ǡ ǡ ǡÀ ǡ ǡ ȗǡ ǡ ͹ͳǤ ǡ ArmyResearchOfficeȋȌǤǦ ǡǡ Ǥ TheUniversityofIllinois ± ǡ ǡ Ǧ ǡ ǡǡ ǡ Ǥ ǡ ǡǡ ǡ BrightSpec,BristolInstruments,Elsevier/JMS,IdealVacuumProducts, ǡ JournalofPhysicalChemistry,andQuantelǤ Ǥ ȗǡ ǡ ͸ͲͲǤ ǡ ͸ͳͺͲͳ ȗǡ Ǧǣ ̷ǤǤ ȗǡ ǡ ǣȀȀǤǤ ȗ Ǧ SPECTROSCOPYINATMOSPHERICCHEMISTRY SteveBrownȋȀȌFrankKeutschȋ ȌǤ Ǧ ǡǦ ǡ Ǥ ǣStanSanderȋ ǡ ȌǡPhilStevensȋ ȌǡRainer VolkamerȋǡȌǡGerardWysockiȋ Ȍ SPECTROSCOPYINTRAPS StephanSchlemmerȋDžDžȌǤ ǤǦ ǡ ǡ ǡ ǡ Ǥ ǣMark JohnsonȋȌǡJosOomensȋȌǡRolandWesterȋDž Ȍ SPECTROSCOPYOFLARGEAMPLITUDEMOTIONS IsabelleKleinerȋƴȌJonHougenȋ ȌǤ Ǧ ǡ JASCO,LockheedMartin,MSquaredLasers,MarketTech,Menlo ǦǤ ǣThereseHuetȋƴ Systems,andNRAOǤ ͳǦȌǡMarekKreglewskiȋ ƴ ȌǡStephanSchlemmer ȋDžDžȌ IOSPress Ǥ Ǥ REGISTRATION ͳ͸ͷǡͶǣͲͲǦ͸ǣͲͲǡ ʹͲͳͷǤ ͺǣͲͲǦͶǣ͵ͲǤͺǣͲͲǦͶǣ͵ͲǤ DanielBakkerǡǢScottDubowskyǡ Ǧ ǢJamesMcMillanǡ Ǥ CHEMISTRYLIBRARY ǡǡ ǡ Ǥ Ǥ Ǥ ǡǡ ȋǨȌǤ ǡ ǡ READYROOM/STATION ȋȌǢȋȌǢ ȋ ȌǢ ȋȌǢǡ ͳ͸ͶDzdz ȋȌǤǤ Ǥ ǡDzdz ȋ Ǧ Ȍ ͳ͸ͷȋȌ Ǥ ȋ̷ǤȌǤ COMPUTERLAB(VizLab) ͳͷͳ Ǥ Ǥ Ǥǡ ͳͻͻʹʹͲͳ͵Ǥ INTERNETACCESS/WiǦFi ʹͲͳͷǤǡPaulJansenȋ ò Ȍǡ Ǥ ȋ ǣ ȌǤ Ǥ Ǧ Ǥ ǦǤ ǡ AUDIO/VIDEOINFORMATION Ǥ ǡ Ǧ ǡ ǤǡManagePresentations ȋ ȌǢ ȋ Ǥ11:59PMCDTTHEDAYBEFORE ȌǢ ȋȌǢȋȌǢ Ǥ Ǧ ȋ ȌǢ ȋȌǢȋ Ǥ ȌǢ ȋȌǢȋ ȌǤ Ǥ ACKNOWLEDGMENTS ȋǤ̷ǤȌǤ Ǥ ǡǦ Ǥ ǡ ǡǡ ǡ ACCOMMODATIONS Ǥ Ǥ Ǧ ǡͳʹͳͶ ǡ ȋ ǡ ͳͻǡʹͶǤ ȌǤ Ǥ PARKING ͳͶȋȌǤ Ǧ Ǥ Ǧǡ Ǥ 1 MA. Plenary Monday, June 20, 2016 – 8:30 AM LIABILITY Room: Foellinger Auditorium Chair: Gregory S. Girolami, University of Illinois at Urbana-Champaign, Urbana, IL, USA ǡ ǡǡǤ Ǥ ǡǡ ǡǡ ǡ Welcome 8:30 ǡ Ǥ Barbara J. Wilson, Chancellor ̵ University of Illinois at Urbana-Champaign Ǥ MA01 8:40 – 9:20 ELECTRONIC SPECTROSCOPY OF ORGANIC CATIONS IN GAS-PHASE AT 6 K: + DISCLAIMER IDENTIFICATION OF C60 IN THE INTERSTELLAR MEDIUM , John P. Maier MA02 9:25 – 10:05 ǡǡȀ SOME COMPLEX PRESSURE EFFECTS ON SPECTRA FROM SIMPLE CLASSICAL MECHANICS, ǡ ǡ ǡ Jean-Michel Hartmann Ǥ Intermission INTERNETACCEPTABLEUSEPOLICY MA03 10:35 – 11:15 MOLECULAR SPECTROSCOPY OF LIVING SYSTEMS, Ji-Xin Cheng ȋ ǣ ȌǤ MA04 11:20 – 12:00 Ǥ OPTICAL AND MICROWAVE SPECTROSCOPY OF TRANSIENT METAL-CONTAINING MOLECULES, Ǥ Ǥ Timothy Steimle Ǥ ǡ ǣ Ǥ ǡǡǡ ǡǡ Ǥǡ ǡ ǡ ǡ ǡ ǡǡǡǡ ǡ ǡ ǡȋ ǡȌ Ǥ ǡ ǡ ȋǣȀȀǤ ǤǤȌǤ̵ ȋǣȀȀǤǤǤȀ Ȁ̴ Ǥ Ȍ Ǥ 2 3 MF. Mini-symposium: Spectroscopy of Large Amplitude Motions MG. Mini-symposium: Spectroscopy in Atmospheric Chemistry Monday, June 20, 2016 – 1:30 PM Monday, June 20, 2016 – 1:30 PM Room: 100 Noyes Laboratory Room: 116 Roger Adams Lab Chair: Isabelle Kleiner, CNRS et Universites´ Paris Est et Paris Diderot, Creteil,´ France Chair: Frank Keutsch, Harvard University, Cambridge, MA, USA MF01 INVITED TALK 1:30 – 2:00 MG01 INVITED TALK 1:30 – 2:00 ON THE LOWEST RO-VIBRATIONAL STATES OF PROTONATED METHANE: MAPPING THE WORLD’S LARGEST NATURAL GAS LEAK AND OTHER METHANE SOURCES USING HIGH EXPERIMENT AND ANALYTICAL MODEL , Hanno Schmiedt, Per Jensen, Oskar Asvany, Stephan Schlemmer RESOLUTION SPECTROSCOPY, Stanley P. Sander, Clare Wong, Thomas J Pongetti MF02 2:05 – 2:20 MG02 2:05 – 2:20 SYMMETRY IN THE GENERALIZED ROTOR MODEL FOR EXTREMELY FLOPPY MOLECULES, Hanno Schmiedt, THE ATMOSPHERIC CHEMISTRY EXPERIMENT (ACE): CO, CH4 AND N2O ISOTOPOLOGUES, Peter F. Bernath, Per Jensen, Stephan Schlemmer Eric M. Buzan, Christopher A. Beale, Mahdi Yousefi, Chris Boone MF03 2:22 – 2:37 MG03 2:22 – 2:37 + 14 AN EFFECTIVE-HAMILTONIAN APPROACH TO CH5 , USING IDEAS FROM ATOMIC SPECTROSCOPY, OPTICAL MEASUREMENTS OF CO2 USING CAVITY RING-DOWN SPECTROSCOPY, David A. Long, Adam J. Jon T. Hougen Fleisher, Qingnan Liu, Joseph Hodges MF04 2:39 – 2:54 MG04 2:39 – 2:54 IMPACT OF ENERGETICALLY ACCESSIBLE PROTON PERMUTATIONS IN THE SPECTROSCOPY AND DYNAM- MID-IR CAVITY RINGDOWN SPECTROSCOPY MEASUREMENTS OF ATMOSPHERIC ETHANE TO METHANE + RATIO, Linhan Shen, Thinh Quoc Bui, Lance Christensen, Mitchio Okumura ICS OF H5 , Zhou Lin, Anne B McCoy MF05 2:56 – 3:11 MG05 2:56 – 3:11 − MEASUREMENTS DOUBLY-SUBSTITUTED METHANE ISOTOPOLOGUE (13CH3D AND 12CH2D2) ABUDANCE VARIATION OF CH STRETCH FREQUENCIES WITH CH4 ORIENTATION IN THE CH4 − F COMPLEX: MULTI- PLE RESONANCES AS VIBRATIONAL CONICAL INTERSECTIONS, Bishnu P. Thapaliya, David S. Perry USING FREQUENCY STABILIZED MID-IR CAVITY RINGDOWN SPECTROSCOPY, Linhan Shen, Thinh Quoc Bui, Mitchio Okumura MF06 3:13 – 3:28 MG06 3:13 – 3:28 SADDLE POINT LOCALIZATION OF MOLECULAR WAVEFUNCTIONS, Georg Ch. Mellau, Aleksandra Kyuberis, THE NEAR-IR SPECTRUM OF CH3D, Shaoyue Yang, Kevin Lehmann, Robert J. Hargreaves, Peter F. Bernath, Michael Oleg Polyansky, Nikolay Fedorovich Zobov, Robert W Field Rey, Andrei V. Nikitin, Vladimir Tyuterev Intermission MG07 3:30 – 3:45 MF07 3:47 – 4:02 3μm-1.6μm DOUBLE RESONANCE SPECTROSCOPY OF CH4, George Schwartz, Erik Belaas, Shaoyue Yang, Kevin SPECTROSCOPIC CHARACTERIZATION OF ISOMERIZATION TRANSITION STATES, Joshua H Baraban, Bryan Lehmann Changala, Georg Ch. Mellau, John F. Stanton, Anthony Merer, Robert W Field Intermission MF08 4:04 – 4:19 MG08 4:04 – 4:19 ELECTRON ANISOTROPY AS A SIGNATURE OF MODE SPECIFIC ISOMERIZATION IN VINYLIDENEa, 12 GLOBAL ANALYSIS OF THE HIGH TEMPERATURE INFRARED EMISSION SPECTRUM OF CH4 IN THE DYAD Stephen T Gibson, Benjamin A Laws, Richard Mabbs, Daniel Neumark, Carl Lineberger, Robert W Field (ν2/ν4) REGION, Badr Amyay, Maud Louviot, Olivier Pirali, Robert Georges, Jean Vander Auwera, Vincent Boudon aResearch supported by the Australian Research Council Discovery Project Grant DP160102585. MG09 4:21