& on 72nd Observatory Supported by: University of Illinois University Urbana-Champaign at YMPOSIUM National Radio Astronomy National NTERNATIONAL Molecular I S Spectroscopy The U.S. Army Research Office Office Research Army The U.S. June 19 - 23, 2017 2017 International Symposium on Molecular Spectroscopy 72nd MONDAY June 19 TUESDAY June 20 WEDNESDAY June 21 THURSDAY June 22 FRIDAY June 23 8:30 AM 8:30 AM 8:30 AM 8:30 AM 8:30 AM Foellinger MA RA Auditorium Plenary Plenary Room 274 TA WA FA Medical Sciences Astronomy Astronomy Planetary Building atmospheres Room 116 TB WB FB Roger Adams Mini-symposium: Mini-symposium: (Hyper)fine Laboratory Multiple Potential Energy Surfaces Multiple Potential Energy Surfaces structure, tunneling Room 1024 TC WC FC Chemistry Annex Structure Conformers, isomers, chirality, Vibrational determination stereochemistry structure/frequencies Room B102 TD WD FD Chemical and Life Large amplitude motions, internal Clusters/Complexes Clusters/Complexes Sciences rotation Room 161 TE WE FE Fundamental Noyes Laboratory Spectroscopy Ions interest as an analytical tool LUNCH BREAK AFTERNOON SESSIONS RESUME AT 1:45 PM Room 274 MF TF WF RF Medical Sciences Mini-symposium: Mini-symposium: Mini-symposium: Mini-symposium: Building ALMA’s Molecular View ALMA’s Molecular View ALMA’s Molecular View ALMA’s Molecular View Room 116 MG TG WG RG Roger Adams Mini-symposium: Mini-symposium: Mini-symposium: Chirality- Mini-symposium: Chirality- Laboratory Multiple Potential Energy Surfaces Multiple Potential Energy Surfaces Sensitive Spectroscopy Sensitive Spectroscopy Room 1024 MH TH WH RH Chemistry Annex Small molecules Instrument/Technique Dynamics Clusters/Complexes Demonstration and kinetics Room B102 MI TI WI RI Chemical and Life Comparing theory and Large amplitude motions, internal Theory and Instrument/ Sciences experiment rotation Computation Technique Demonstration Room 161 MJ TJ WJ RJ Noyes Laboratory Atmospheric science Linelists Lineshapes, collisional effects Radicals Room 140 MK TK WK Burrill Hall Instrument/Technique Small molecules Metal containing Demonstration ͹ʹ ͳͻǦʹ͵ǡʹͲͳ͹ Ǧǡ OnbehalfoftheExecutiveCommittee,Iextendaheartfeltwelcometoallthe attendeesofthe72ndSymposiumandwelcomeyoutotheUniversityofIllinoisat 72nd 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 282 pages variety,andthefactthatmanyaregivenbystudents.Thesepresentationsarethe heartofthemeetingandaredocumentedbythisAbstractBook.Equallyimportantis ISBN-13: 9781546605102 ISBN-10: 154660510X theinformationflowingfrominformalexchangesanddiscussions.Asorganizers,we strivetoprovideanenvironmentthatfacilitatesbothkindsofinteractions. Theessenceofthemeetingliesinthescientificdiscussionsandyourpersonal experiencesthisweekindependentofthenumberoftimesthatyouhaveattendedthis meeting.Itisoursincerehopethatyouwillfindthismeetinginformativeand enjoyablebothscientificallyandpersonally,whetheritisyourfirstor50thmeeting.If wecanhelptoenhanceyourexperience,pleasedonothesitatetoasktheSymposium staffortheExecutiveCommittee. BenMcCall SymposiumChair SCHEDULEOFTALKS ABSTRACTS ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͶͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͺ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͹͹ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳͻ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳ͵͵ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͵Ͳ ȋȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤͳͻͳ ȋ ȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤ͵͸ ȋ ȌǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹͳͺ ǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤǤʹͶͳ ͹ʹ ȋǨȌ Tuesdayevening Ǥ ȋ ȌǡǤCoblentz SocietyǤ Ǥ ǡǯ ǡ ǡÀ ǡ ǡ ǡ ǡ ͹ʹǤ ǡ ArmyResearchOfϐiceȋȌNationalRadioAstronomyObservatoryȋȌǤ ǡǡ ǦǤ The ± UniversityofIllinoisǡ ϐ ǡ ǡ Ǧ ǡ ǡǡ Ǥ ǡ ǡǡ BrightSpec,BristolInstruments,Elsevier/JMS,IdealVacuumProducts, ǡ JournalofPhysicalChemistry/ACS,QuantelǤ ǡ Ǥ ǡ ǡ ͸ͲͲǤ ǡ ͸ͳͺͲͳ ǡǡ Ǧǣ ̷ǤǤ ǡ ǣȀȀǤǤ Ǧ ALMA'SMOLECULARVIEW BrettMcGuireȋȌAnthonyRemijanȋȌǤǦ ǡ ǡ Ȁ ǡ ǡ Ǥ ǣSusanneAaltoȋ ȌǡArnaud BellocheȋǦ Ǧ òȌǡMichaelMcCarthyȋ Ǧ ȌǡChunhua"Charlie"Qiȋ Ǧ ȌǡNaokiWatanabeȋ Ȍ CHIRALITYǦSENSITIVESPECTROSCOPY YunjieXuȋȌMelanieSchnellȋǦ ǡ ȌǤ Ǧ ǡ ǡ ǡ Ǥ ǣRinaDukorȋǡ ǤȌǡLaurentNahonȋ Ȍǡ PatrickVaccaroȋȌ MULTIPLEPOTENTIALENERGYSURFACES JinjunLiuȋȌChrisEllesȋȌǤǦ Bruker,JASCO,MSquaredLasers,MenloSystems ǡ Ǥ ǡǡ Ǥ ǣRobertW.Fieldȋ Ȍǡ IOSPress Ǥ RoseanneJ.Sensionȋ ȌǡJohnF.Stantonȋ Ȍ Ǥ REGISTRATION(NEWLOCATIONTHISYEAR!) ǡͶǣͲͲǦ ʹͲͳ͸Ǥ ͸ǣͲͲǡ ͺǣͲͲǦͶǣ͵ͲǤͺǣͲͲ DavidGrimesǡ ǢKasperMackeprangǡǢJoseyE.Topolskiǡ ǦͶǣ͵ͲǤ Ǥ ǡ ǡ ǡ CHEMISTRYLIBRARY Ǥ Ǥ ȋ ǡ ǡ ȌǤ ǡ ȋǨȌǤ ȋȌǢȋȌǢ ȋ ȌǢ ȋȌǢǡ READYROOM/STATION ȋȌǤǤ ȋ Ǧ Ȍ ʹ ȋ̷ǤȌǤ Ǥ ǡDzdzȋȌ Ǥ COMPUTERLAB(VizLab) Ǥǡ ͳͷͳ ͳͻͻʹʹͲͳ͵Ǥ Ǥ Ǥ ʹͲͳ͸ǤǡMarieǦAline Ǥ MartinǦDrumelȋ Ǧ Ȍǡ Ǥ INTERNETACCESS/WiǦFi Ǧ ǦǤ ȋ ǣ ȌǤ ǡ Ǥ Ǥ Ǥ ǡ AUDIO/VIDEOINFORMATION ȋ ȌǢ ȋ ȌǢ ȋȌǢȋȌǢ ǡ Ǧ ȋ ȌǢ ȋȌǢȋ ǤǡManagePresentations ȌǢ ȋȌǢȋ ȌǤ Ǥ11:59PMCDTTHEDAY Ǥ BEFOREǤ ȋ̷ǤȌǤ ǦǤ ACKNOWLEDGMENTS ACCOMMODATIONS Ǥ ǡǦ Ǥ Ǧ ǡͳʹͳͶ ǡ ǡ ǡ ǡ ͳͺǡʹͶǤ Ǥ Ǥ Ǥ Ǥ ȋ Ȍ PARKING Ǥ ͳͶȋȌǤ Ǧ Ǥ Ǧǡ Ǥ 1 MA. Plenary Monday, June 19, 2017 – 8:30 AM LIABILITY Room: Foellinger Auditorium Chair: Martin Gruebele, University of Illinois at Urbana-Champaign, Urbana, IL, USA ǡ ǡǡǤ Ǥ ǡǡ ǡǡ ǡ Welcome 8:30 ǡ Ǥ Peter Schiffer, Vice Chancellor for Research ̵ University of Illinois at Urbana-Champaign Ǥ MA01 8:40 – 9:20 MOLECULES FROM CLOUDS TO PLANETS: SWEET RESULTS FROM ALMA, Ewine van Dishoeck DISCLAIMER MA02 9:25 – 10:05 INFRARED SPECTROSCOPY OF NEW MOLECULES AND CLUSTERS, Mingfei Zhou ǡǡȀ Intermission ǡ ǡ ǡ Ǥ MA03 10:40 – 11:20 ELECTRONIC WAVE PACKET INTERFEROMETRY OF GAS PHASE SAMPLES: HIGH RESOLUTION SPECTRA INTERNETACCEPTABLEUSEPOLICY AND COLLECTIVE EFFECTS, Frank Stienkemeier ȋ ǣ ȌǤ FLYGARE AWARDS 11:25 Ǥ Introduction by Trevor Sears, Brookhaven National Laboratory Ǥ Ǥ Ǥ ǡ ǣ MA04 11:30 – 11:45 DUAL CRYOGENIC ION TRAP SPECTROMETER FOR SPECTROSCOPY OF COLD ION-MOLECULES COM- PLEXES, Etienne Garand Ǥ MA05 11:50 – 12:05 HIGH-RESOLUTION LASER SPECTROSCOPY OF FREE RADICALS IN NEARLY DEGENERATE ELECTRONIC ǡǡǡ ǡǡ STATES, Jinjun Liu 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: ALMA’s Molecular View MG. Mini-symposium: Multiple Potential Energy Surfaces Monday, June 19, 2017 – 1:45 PM Monday, June 19, 2017 – 1:45 PM Room: 274 Medical Sciences Building Room: 116 Roger Adams Lab Chair: Susanna L. Widicus Weaver, Emory University, Atlanta, GA, USA Chair: Christopher G. Elles, University of Kansas, Lawrence, KS, USA MF01 1:45 – 2:00 MG01 INVITED TALK 1:45 – 2:15 THE ATACAMA LARGE MILLIMETER/SUBMILLIMETER ARRAY - FROM EARLY SCIENCE TO FULL OPERA- THE ELECTRONIC GROUND STATE OF THE NITRATE RADICAL: A DECADE OF CONTROVERSY, John F. Stanton TIONS., Anthony Remijan MG02 2:19 – 2:34 MF02 INVITED TALK 2:02 – 2:32 A ZERO-ORDER PICTURE OF THE INFRARED SPECTRA OF CH3O AND CD3O: ASSIGNMENT OF STATES, EXPLORING MOLECULAR COMPLEXITY IN THE INTERSTELLAR MEDIUM WITH ALMA , Arnaud Belloche Britta Johnson, Edwin Sibert MF03 2:36 – 2:51 MG03 2:36 – 2:51 ROTATIONAL SPECTROSCOPY OF THE LOW ENERGY CONFORMER OF 2-METHYLBUTYRONITRILE AND DVR3DUV: A SUITE FOR HIGH ACCURACY CALCULATIONS OF RO-VIBRONIC SPECTRA OF TRIATOMIC SEARCH FOR IT TOWARD SAGITTARIUS B2(N2), Holger S. P. Muller¨ , Nadine Wehres, Oliver Zingsheim, Frank Lewen, MOLECUlES, Emil J Zak, Jonathan Tennyson Stephan Schlemmer, Jens-Uwe Grabow, Robin T. Garrod, Arnaud Belloche, Karl M. Menten MG04 2:53 – 3:08 MF04 2:53 – 3:08 THE ROVIBRONIC SPECTRA OF THE CYCLOPENTADIENYL RADICAL, Ketan Sharma, Terry A. Miller, John F. Stan- SUBMILLIMETER WAVE SPECTRUM OF THIOACETALDEHYDE AND ITS SEARCH IN SgrB2, L. Margules` ,R.A. ton, David Nesbitt Motiyenko, J.-C. Guillemin, Y. Ellinger, Brett A. McGuire, Anthony Remijan MG05 3:10 – 3:25 MF05 3:10 – 3:25 ROTATIONAL PARAMETERS FROM VIBRONIC EIGENFUNCTIONS OF JAHN-TELLER ACTIVE MOLECULES, THE SURPRISING COMPLEXITY OF DIFFUSE AND TRANSLUCENT CLOUDS TOWARD SGR B2: DIATOMICS Scott M. Garner, Terry A. Miller AND COMs FROM 4 GHz TO 1.2 THz, Brett A. McGuire, Joanna F. Corby, Marie-Aline Martin-Drumel, P. Schilke, Michael Intermission C McCarthy, Anthony Remijan MG06 3:44 – 3:59 MF06 3:27 – 3:42 RYDBERG STATES OF ALKALI METAL ATOMS ON SUPERFLUID HELIUM DROPLETS - SIO EMISSION FROM THE INNER PC OF SGR A*, Farhad Yusef-Zadeh THEORETICAL CONSIDERATIONS, Johann V. Pototschnig, Florian Lackner, Andreas W. Hauser, Wolfgang E. Ernst Intermission MG07 4:01 – 4:16 MF07 4:01 – 4:16 OBSERVATION OF HEAVY RYDBERG STATES IN H2 AND HD, Maximilian Beyer, Frederic Merkt ASTROCHEMICALLY RELEVANT MOLECULES IN THE W-BAND REGION, Benjamin E Arenas, Amanda Steber, MG08 4:18 – 4:33 Sebastien´ Gruet, Melanie Schnell THE ROLE OF PERTURBATIONS IN THE B-X UV SPECTRUM OF S2 IN A TEMPERATURE-DEPENDENT MECHA- MF08 4:18 – 4:33 NISM FOR SULFUR MASS INDEPENDENT FRACTIONATION, Alexander W. Hull, Robert W Field, Shuhei Ono ASTRONOMICAL TRIPLETS: ALMA OBSERVATIONS OF C2H4O2 ISOMERS IN SGR B2 (N), Ci Xue, Anthony Remi- MG09 4:35 – 4:50 jan, Andrew M Burkhardt, Eric Herbst 1 THE ORGIN