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on 70th 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 22 - 26, 2015 2015 International Symposium on Molecular Spectroscopy 70th MONDAY TUESDAY WEDNESDAY THURSDAY FRIDAY June 22 June 23 June 24 June 25 June 26 8:30 AM 8:30 AM 8:30 AM 8:30 AM 8:30 AM Foellinger Auditorium MA WA Plenary Plenary Room 116 TA RA FA Roger Adams Lab Metal Containing Metal Containing Electronic structure, potential energy surfaces Room 100 TB RB FB Noyes Laboratory Mini-symposium: Mini-symposium: Spectroscopy as an Accelerator-Based Accelerator-Based analytical tool Spectroscopy Spectroscopy Room B102 TC RC FC Chemical and Life Mini-symposium: Mini-symposium: Comparing theory and Sciences Spectroscopy in the Classroom Spectroscopy in the experiment Classroom Room 274 TD RD FD Medical Sciences Conformers, isomers, chirality, Astronomy Atmospheric science Building stereochemistry Room 217 TE RE FE Noyes Laboratory Instrument/Technique Instrument/Technique Small molecules Demonstration Demonstration LUNCH BREAK AFTERNOON SESSIONS RESUME AT 1:30 PM Room 116 MF TF WF RF Roger Adams Lab Mini-symposium: Mini-symposium: Mini-symposium: Atmospheric science High-Precision Spectroscopy High-Precision Spectroscopy High-Precision Spectroscopy Room 100 MG TG WG RG Noyes Laboratory Structure determination Large amplitude motions, Mini-symposium: Vibrational structure/ internal rotation Accelerator-Based frequencies Spectroscopy Room B102 MH TH WH RH Chemical and Life Linelists Radicals Clusters/Complexes Clusters/Complexes Sciences Room 274 MI TI WI RI Medical Sciences Ions Dynamics/Kinetics/Ultrafast Astronomy Astronomy Building Room 217 MJ TJ WJ RJ Noyes Laboratory Small molecules Rydberg Atoms and Molecules Non-covalent interactions Cold/Ultracold/Matrices/ Droplets Ͳ ʹʹǦʹǡʹͲͳͷ Ǧǡ OnbehalfoftheExecutiveCommittee,Iextendaheartfeltwelcometoallthe attendeesofthe70thSymposiumandwelcomeyoutotheUniversityofIllinoisat 70th 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 274 pages variety,andthefactthat manyaregivenbystudents.Thesepresentationsarethe ISBN-13: 9781511735063 heartofthemeetingandaredocumentedbythisAbstractBook.Equallyimportantis ISBN-10: 1511735066 theinformationflowingfrominformalexchangesanddiscussions.Asorganizers,we strivetoprovideanenvironmentthatfacilitatesbothkindsofinteractions. Theessenceofthemeetingliesinthescientificdiscussionsandyourpersonal experiencesthisweekindependentofthenumberoftimesthatyouhaveattendedthis meeting.Itisoursincerehopethatyouwillfindthismeetinginformativeand enjoyablebothscientificallyandpersonally,whetheritisyourfirstor50thmeeting.If wecanhelptoenhanceyourexperience,pleasedonothesitatetoasktheSymposium staffortheExecutiveCommittee. BenMcCall SymposiumChair SCHEDULEOFTALKS ABSTRACTS ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͵ͺ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳʹ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹ͵ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳͲ ȋ ȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͵͵ ȋ ȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹͳͷ ǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹ͵ͺ Ͳ Ǥ ȋ ȌǡǤ CoblentzSocietyǣͳͷǤ ǡ ǡ ǣͲͲǤ ǡ ǡ ±± ǡ ǡ ǡ ǡ ͲǤ ǡ ArmyOfficeofResearchȋȌǤǦ ǡ Ǥ TheUniversityofIllinois ǡ ǡ ǡ ǡ ǡǡ ǡ ǡ ȗǡǡ Ǥ ȗǡ ǡ BristolInstruments,Elsevier/JMS,IdealVacuumProducts,Journalof ǡ ͲͲǤ PhysicalChemistryA,Newport/SpectraǦPhysics,Quantel,andVirginiaDiodesǤ ȗǡ ͳͺͲͳ Ǥ ǡ Ǧǣ ̷ǤǤ ȗǡ ǡ ǣȀȀǤǤ ȗ Ǧ ACCELERATORǦBASEDSPECTROSCOPY JosOomensȋǡȌJennifervanWijngaardenȋ ȌǤǦ Ǥ ǣRobertGeorges ȋ±ȌǡTerryMcMahonȋȌǡGaëlMouretȋ± Ø̵ȌǡGertvonHeldenȋ Ǧ Ǧ ǡǡ Ȍ SPECTROSCOPYINTHECLASSROOM StephenCookeȋ ǡȌAndreaMineiȋ Ǥ ȌǤǦ ǡ ǡ ǡ Ǥ ǣGeoffreyA.Blakeȋ ȌColinWesternȋȌ HIGHǦPRECISIONSPECTROSCOPY AgilentTechnologies,AndorTechnology,JASCO,andMenlo SystemsǤ MikeHeavenȋȌTrevorSearsȋȌǤǦ ǡ Ǥ IOSPress Ǥ ǣThomasK.AllisonȋȌǡIanCoddingtonȋ Ǥ ȌǡDavidLongȋ ȌǡHiroyuki SasadaȋȌǡWimUbachsȋȌ REGISTRATION ʹͲͳͶǤ ͳͷǡͶǣͲͲǦǣͲͲǡ GrantBuckinghamǡǢKathrynChewǡǢYuǦHsuan ͺǣͲͲǦͶǣ͵ͲǤͺǣͲͲǦͶǣ͵ͲǤ HuangǡǤ ǡ ǡ ǡ CHEMISTRYLIBRARY Ǥ Ǥ Ǥ ǡ ǡ ǡǡ ȋǨȌǤ ǡǢǡǢ ǡ Ǣ ǡǢǡ READYROOM/STATION ǤǤ ȋ Ǧ Ȍ ͳͶDzdz ȋ̷ǤȌǤ Ǥ ǡDzdz ͳͷȋȌ Ǥ COMPUTERLAB(VizLab) Ǥǡ ͳͷͳ ͳͻͻʹʹͲͳ͵Ǥ Ǥ Ǥ ʹͲͳͶǤ INTERNETACCESS/WiǦFi ǡChristopherLeavittȋ Ȍǡ Ǥ ȋ ǣ Ȍ Ǧ Ǥ Ǥ ǦǤ Ǥ ǡ Ǥ AUDIO/VIDEOINFORMATION ǡ ǡ Ǧ ǡǢ ǡǢ ǤǡManagePresentations ǡǢǡǢ ǡ Ǥ11:59PMCDTTHEDAYBEFORE ǢǡǢ ǡ Ǥ Ǧ ǢǡǢ ǡǤ Ǥ Ǥ ȋ̷ǤȌǤ ACKNOWLEDGMENTS Ǥ ǡǦ Ǥ ACCOMMODATIONS ǡ ǡǡ ǡ Ǥ Ǧ ǡͳʹͳͶ ǡ Ǥ ǡ ʹͳǡʹͶǤ ȋ Ǥ ȌǤ PARKING ͳͶȋȌǤ Ǧ Ǥ Ǧǡ Ǥ 1 MA. Plenary Monday, June 22, 2015 – 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 Phyllis M. Wise, Chancellor ̵ University of Illinois at Urbana-Champaign Ǥ MA01 8:40 – 9:20 BREATHING EASIER THROUGH SPECTROSCOPY: STUDYING FREE RADICAL REACTIONS IN AIR POLLUTION DISCLAIMER CHEMISTRY, Mitchio Okumura MA02 9:25 – 10:05 ǡǡȀ MOLECULAR ROTATION SIGNALS: MOLECULE CHEMISTRY AND PARTICLE PHYSICS, Jens-Uwe Grabow ǡ ǡ ǡ Intermission Ǥ MA03 10:35 – 11:15 IT IS WATER WHAT MATTERS: THz SPECTROSCOPY AS A TOOL TO STUDY HYDRATION DYNAMICS, INTERNETACCEPTABLEUSEPOLICY Martina Havenith ȋ ǣ Ȍ MA04 11:20 – 12:00 Ǥ Ǥ CPUF: CHIRPED-PULSE MICROWAVE SPECTROSCOPY IN PULSED UNIFORM SUPERSONIC FLOWS, Arthur Suits, Chamara Abeysekera, Lindsay N. Zack, Baptiste Joalland, Nuwandi M Ariyasingha, Barratt Park, Robert W Ǥ Ǥ Field, Ian Sims 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: High-Precision Spectroscopy MG. Structure determination Monday, June 22, 2015 – 1:30 PM Monday, June 22, 2015 – 1:30 PM Room: 116 Roger Adams Lab Room: 100 Noyes Laboratory Chair: Michael Heaven, Emory University, Atlanta, GA, USA Chair: Ha Vinh Lam Nguyen, Universite´ Paris-Est Creteil,´ Creteil,´ France MF01 Journal of Molecular Spectroscopy Review Lecture 1:30 – 2:00 MG01 1:30 – 1:45 PHYSICS BEYOND THE STANDARD MODEL FROM MOLECULAR HYDROGEN SPECTROSCOPY, Wim Ubachs, DETECTION OF HSNO, A CRUCIAL INTERMEDIATE LINKING NO AND H2S CHEMISTRIES, Edcel John Salumbides, Julija Bagdonaite Marie-Aline Martin-Drumel, Carrie Womack, Kyle N Crabtree, Sven Thorwirth, Michael C McCarthy MF02 2:05 – 2:20 MG02 1:47 – 2:02 PRECISION SPECTROSCOPY ON HIGHLY-EXCITED VIBRATIONAL LEVELS OF H2, Ming Li Niu, DETECTION AND STRUCTURAL CHARACTERIZATION OF NITROSAMIDE H2NNO: A CENTRAL INTERMEDI- Edcel John Salumbides, Wim Ubachs ATE IN deNOx PROCESSES, Michael C McCarthy, Kelvin Lee, John F. Stanton MF03 2:22 – 2:37 MG03 2:04 – 2:19 BOUNDS ON THE NUMBER AND SIZE OF EXTRA DIMENSIONS FROM MOLECULAR SPECTROSCOPY, MICROWAVE SPECTRA OF 1- AND 2-BROMOBUTANE, Soohyun Ka, Jihyun Kim, Heesu Jang, JUNG JIN Oh Edcel John Salumbides, Bert Schellekens, Beatriz Gato-Rivera, Wim Ubachs MG04 2:21 – 2:36 MF04 2:39 – 2:54 ACCURATE EQUILIBRIUM STRUCTURES FOR trans-HEXATRIENE BY THE MIXED ESTIMATION METHOD AND CONTINUOUS SUPERSONIC EXPANSION DISCHARGE SOURCE FOR HIGH-PRECISION MID-INFRARED SPEC- FOR THE THREE ISOMERS OF OCTATETRAENE FROM THEORY; STRUCTURAL CONSEQUENCES OF ELEC- TROSCOPY OF COLD MOLECULAR IONS, Courtney Talicska, Michael Porambo, Benjamin J. McCall TRON DELOCALIZATION, Norman C. Craig, Jean Demaison, Peter Groner, Heinz Dieter Rudolph, Natalja Vogt MF05 2:56 – 3:11 MG05 2:38 – 2:53 + PROGRESS TOWARDS A HIGH-PRECISION INFRARED SPECTROSCOPIC SURVEY OF THE H3 ION, RING PUCKERING POTENTIALS OF THREE FLUORINATED CYCLOPENTENES: C5F8, C5HF7, and C5H2F6, Adam J. Perry, James N. Hodges, Charles R. Markus, G. Stephen Kocheril, Paul A. Jenkins II, Benjamin J. McCall E. A. Arsenault, B. E. Long, Wallace C. Pringle, Yoon Jeong Choi, S. A. Cooke, Esther J Ocola, Jaan Laane Intermission MG06 2:55 – 3:10 CONFORMATIONAL TRANSFORMATION OF FIVE-MEMBERED RINGS: THE GAS PHASE STRUCTURE OF 2- MF06 3:30 – 3:45 METHYLTETRAHYDROFURAN, Vinh Van, Ha Vinh Lam Nguyen, Wolfgang Stahl HIGH PRECISION INFRARED SPECTROSCOPY OF OH+, Charles R. Markus, Adam J. Perry, James N. Hodges, G. Stephen Kocheril, Paul A. Jenkins II, Benjamin J. McCall MG07 3:12 – 3:27 ASSIGNMENT OF THE MICROWAVE SPECTRUM OF 1,2-DIFLUOROBENZENE···HCCH: LESSONS LEARNED MF07 3:47 – 4:02 FROM ANALYSIS OF A DENSE BROADBAND SPECTRUM, Anuradha Akmeemana, Rebecca D. Nelson, Mikayla L. TOWARD TWO-COLOR SUB-DOPPLER SATURATION RECOVERY KINETICS IN CN (X, v = 0, J), Hong Xu,Damien Grant, Rebecca A. Peebles, Sean A. Peebles, Justin M. Kang, Nathan A Seifert, Brooks Pate Forthomme, Trevor Sears, Gregory Hall, Paul Dagdigian MG08 3:29 – 3:39 MF08 4:04 – 4:19 STRUCTURE DETERMINATION AND CH···F INTERACTIONS IN H C=CHF···H C=CF BY FOURIER- AN EMPIRICAL DIPOLE POLARIZABILITY FOR He FROM A FIT TO SPECTROSCOPIC DATA YIELDING ANA- 2 2 2 TRANSFORM MICROWAVE SPECTROSCOPY, Rachel E. Dorris, Rebecca A.