TD. INFRARED AND RAMAN

TUESDAY, JUNE 16, 1998 - 8:30AM

Room: 160 MATH ANNEX

Chair: JAMES R. DURIG, University of Missouri-Kansas, Kansas City, MO

TD01 15min8:30

REGULAR VS. CHAOTIC INTRAMOLECULAR DYNAMICS IN THE FIRST CH STRETCHING OVERTONE OF AROMATIC MOLECULES.

A. CALLEGARI, H. K. SRIVASTAVA, P. ENGELS, U. MERKE, S. CHOI, K. K. LEHMANN AND G. SCOLES, Department of Chemistry, Princeton University, Princeton NJ, 08544-1009.

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TD02	CANCELLED				10min8:47

A SIMPLE FACTORIZATION SCHEME TO PREDICT IVR RATES IN MEDIUM-SIZED ORGANIC MOLECULES.

RYAN PEARMAN AND MARTIN GRUEBELE, Department of Chemistry and Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana, IL 61801.

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TD02 Original abstract withdrawn 10min8:47

SOME FEATURES OF VIBRATIONAL SPECTRA OF CYCLOPROPENE AND ITS METHYL AND FLUORO DERIVATIVES AND THEIR DEUTERO ANALOGUES.

Yu. N. PANCHENKO Laboratory of Molecular Spectroscopy, Division of Physical Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119899, Russian Federation.

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TD03			15min8:59

FRIEDEL-CRAFTS ACYLATION ON POROUS DIVINYL BENZENE POLYMER PARTICLES - A REACTION KINETIC STUDY USING INFRARED SPECTROSCOPY.

ALFRED A. CHRISTY, Agder College, Department of Chemistry, N-4604 Kristiansand, Norway; BRN GRUNG, O. M. KVALHEIM, Department of Chemistry, University of Bergen, N- 5007 Bergen, Norway; ANNE K. NYHUS, Department of Industrial Chemistry, Norwegian University of Science and Technology, N-7034 Trondheim, Norway; STEINAR HAGEN AND JON S. SCHANCHE, Amersham Pharmacia Biotech AS, P.O.Box 213, N-2001 Lillestrøm, Norway.

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TD04			15min9:16

HIGH RESOLUTION FIR--SPECTRUM OF OXETANE (TRIMETHYLENE OXIDE): ANALYSIS OF THE RING--PUCKERING FUNDAMENTAL NEAR 53 cm^-1 AND OF SOME HOT BANDS.

MANFRED WINNEWISSER, MARC KUNZMANN AND MICHAEL LOCK, Physikalisch-Chemisches Institut, Justus-Liebig-Universität, D-35392 Gießen, Germany.

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TD05			15min9:33

ANALYSIS OF VIBRATION-ROTATION SPECTRA IN

₁₀=1 AND 2 AND THE

₉=1 AND 3 VIBRATIONS OF THE DEUTERATED (CD₃CCD) MOLECULE FOR THE Delta

J=3

2 AND

J=2

1 ROTATIONAL TRANSITIONS.

J. E. GADHI, Faculte des Sciences Semlalia, Marakesh, Morocco; M. AL-SHARE, Department of Physics, Mu'tah University; W. M. RHEE, Department of Physics, Kyungsung University, Pusan, Korea; J. HAJSALEH, Department of Physics, University of Bahrain, Bahrain; J. A. ROBERTS, Department of Physics, University of North Texas, Denton, TX 76203.

TD06			15min9:50

CALCULATION OF THE RAMAN FREQUENCIES OF AMMONIA NEAR THE MELTING POINT.

H. YURTSEVEN, Department of Physics, Istanbul Technical University, Maslak, Istanbul, Turkey.

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INTERMISSION

TD07			15min10:30

COMPLETE ASSIGNMENT OF THE VIBRATIONAL FUNDAMENTALS OF ZZ -1,4-DIFLUOROBUTADIENE..

NORMAN C. CRAIG, CHRISTOPHER F. NEESE AND TUAN N. NGUYEN, Department of Chemistry, Oberlin College, Oberlin, OH 44074; ANNE CHAKA, The Lubrizol Corporation, 29400 Lakeland Blvd., Wickliffe, OH 44092.

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TD08			10min10:47

PRELIMINARY ANALYSIS OF A C-TYPE BAND IN THE HIGH-RESOLUTION INFRARED SPECTRUM OF EE -1,4-DIFLUOROBUTADIENE.

NORMAN C. CRAIG AND LAURA PEDRAZA, Department of Chemistry, Oberlin College, Oberlin, OH 44074; MICHAEL LOCK, Physikalisch-Chemisches-Institut der Justus-Liebig-Universität, D-35392 Giessen, Germany.

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TD09			10min10:59

CONFORMATIONAL STUDIES OF CYCLOPROPYLMETHYL ACETYLENE FROM TEMPERATURE DEPENDENT FT-IR SPECTRA OF XENON SOLUTIONS. INFRARED AND RAMAN SPECTRA, AND AB INITIO CALCULATIONS.

ZHENHONG YU, XIAODONG ZHU, GAMIL A. GUIRGIS AND J. R. DURIG, Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110-2499.

TD10			15min11:11

EFFECT OF STRUCTURE AND CONFORMATION ON RAMAN TRACE SCATTERING INTENSITIES IN HYDROCARBONS.

KATHLEEN M. GOUGH, JASON R. DWYER AND TED GAWLIK, Department of Chemistry, University of Manitoba, Winnipeg, MB, Canada R3T 2N2 .

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TD11			15min11:28

THE HIGH RESOLUTION RAMAN SPECTRA OF THE

₄ BAND OF DIBORANE.

J. L. DOMENECH, D. BERMEJO, Instituto de Estructura de la Materia, C.S.I.C., Serrano 123, 28006 Madrid, SPAIN; J. M. FLAUD, Laboratoire de Photophysique Moleculaire, CNRS,U. Paris Sud, Bat 210, 91405 Orsay Cedex, FRANCE; W. J. LAFFERTY, Optical Technology Division, N.I.S.T, Gaithersburg, MD 20899, USA.

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TD12			15min11:45

RAMAN AND INFRARED SPECTRA, CONFORMATIONAL STABILITY, AB INITIO CALCULATIONS AND VIBRATIONAL ASSIGNMENTS FOR CHLOROMETHYL METHYL SILANE.

YASSER E. NASHED, GAMIL A. GUIRGIS, JAMES B. ROBB II AND JAMES R. DURIG, Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110-2499.

TD13			15min12:02

CONFORMATIONAL POLYMORPHISM AND MOLECULAR DYNAMICS OF CRYSTALLINE N-CARBOXYLIC ACIDS.

SVETLANA MAKARENKO, G. PUCHKOVSKAYA, I. SEKIRIN, Institute of Physics, National Academy of Sciences of Ukraine, 46, Prosp. Nauki, 252022 Kyiv, Ukraine.

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