WI. INFRARED/RAMAN

WEDNESDAY, JUNE 19, 2013 - 1:30PM

Room: 1015 MCPHERSON LAB

Chair: REBECCA PEEBLES, Eastern Illinois University, Charleston, IL

WI01 15min1:30

INFRARED SPECTROSCOPIC INVESTIGATION ON HIGH ACIDITY OF DIETHYLETHER CATION.

TOMOYA ENDO, YOSHIYUKI MATSUDA, ASUKA FUJII, Depertment of Chemistry, Graduate School of Science,Tohoku University, Sendi 980-8578, Japan; KAITO TAKAHASHI, Institute of Atomic and Molecular Sciences, Academia Sinca,Taipei 10617, Taiwan.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI02			15min1:47

STRUCTURAL, CONFORMATIONAL AND VIBRATIONAL STUDIES OF ISOCYANOCYCLOPENTANE FROM INFRARED, RAMAN SPECTRA AND AB INITIO CALCULATIONS.

DATTATRAY K. SAWANT, JOSHUA J. KLAASSEN, JAMES R. DURIG, DEPARTMENT OF CHEMISTRY, UNIVERSITY OF MISSOURI-KANSAS CITY, MO 64110 USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI03			15min2:04

MICROWAVE AND INFRARED SPECTRA, ADJUSTED R₀ STRUCTURAL PARAMETERS, CONFORMATIONAL STABILITIES, VIBRATIONAL ASSIGNMENTS, AND AB INITIO CALCULATIONS OF CYCLOBUTYLCARBOXYLIC ACID CHLORIDE.

JOSHUA J. KLAASSEN, PETER GRONER, JAMES R. DURIG, Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 USA.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI04			15min2:21

LOWERING OF KETO-ENOL TAUTOMERIZATION BARRIER OF CYCLIC DIKETONES VIA CH cdots

O INTERACTION.

T. CHAKRABORTY, B. BANDYOPADHYAY, P. BANERJEE AND P. PANDEY, Department of Physical Chemistry, Indian Association for the cultivation of science, Calcutta 700032, India. E-mail: pctc@iacs.res.in.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI05			15min2:38

A SPECTROSCOPIC AND THEORETICAL STUDY OF WEAK INTRAMOLECULAR OH cdots

INTERACTIONS IN ALLYL CARBINOL AND METHALLYL CARBINOL.

SIDSEL D. SCHROEDER, KASPER MACKEPRANG, HENRIK G. KJAERGAARD, Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

INTERMISSION

WI06			10min3:15

VIBRATIONAL SPECTROSCOPIC INVESTIGATION AND CONFORMATIONAL ANALYSIS OF 1-HEPTYLAMINE: A COMPARATIVE DENSITY FUNCTIONAL STUDY.

MAHIR TURSUN, Department of Physics, Dumlupinar University, Kutahya, 43100, Turkey; AND GURKAN KESAN, Institute of Physics and Biophysics, Faculty of Science, University of South Bohemia, Branisovská 31, Ceské Budéjovice, 370 05, Czech Republic; AND CEMAL PARLAK, Department of Physics, Dumlupinar University, Kutahya, 43100, Turkey; MUSTAFA SENYEL, Science Faculty, Department of Physics, Anadolu University, Eskisehir, Turkey 26470.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI07			15min3:27

LOWEST ENERGY VIBRATIONAL MODES OF NINE NAPHTHALENE DERIVATIVES; EXPERIMENT AND THEORY.

M. A. MARTIN-DRUMEL, O. PIRALI, Y. LAQUAIS, Institut des Sciences Moléculaires d'Orsay, CNRS, UMR 8214, Université Paris XI, bât. 210, 91405 Orsay Cedex, France; SOLEIL Synchrotron, AILES beamline, L'orme des Merisiers, Saint-Aubin, 91192 Gif-Sur-Yvette, France; C. FALVO, P. PARNEIX AND PH. BRECHIGNAC, Institut des Sciences Moléculaires d'Orsay, CNRS, UMR 8214, Université Paris XI, bât. 210, 91405 Orsay Cedex, France.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI08			10min3:44

TOWARD COMPUTATIONAL SPECTROSCOPY STUDIES FOR LARGE MOLECULAR SYSTEMS.

MALGORZATA BICZYSKO, Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, I-56127 Pisa, Italy; JULIEN BLOINO, Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), UOS di Pisa, Area della Ricerca CNR, Via G. Moruzzi 1, I-56124 Pisa, Italy; VINCENZO BARONE, Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI09			15min3:56

DETERMINATION OF STRUCTURAL AND VIBRATIONAL PROPERTIES OF 5-QUINOLINECARBOXALDEHYDE USING EXPERIMENTAL FT-IR, FT-RAMAN TECHNIQUES AND THEORETICAL HF AND DFT METHODS.

MUSTAFA KUMRU, MUSTAFA KOCADEMIR, TAYYIBE BARDAKCI, Department of Physics, Faculty of Arts and Sciences, Fatih University, 34500 Buyukcekmece, Istanbul, Turkey.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

WI10			15min4:13

CYCLIC CONSTRAINTS ON CONFORMATIONAL FLEXIBILITY IN gamma

-PEPTIDES: CONFORMATION-SPECIFIC IR AND UV SPECTROSCOPY.

PATRICK S. WALSH, RYOJI KUSAKA AND TIMOTHY S. ZWIER, Department of Chemistry, Purdue University, West Lafayette. IN 47907; BRIAN F. FISHER AND SAMUEL H. GELLMAN, Department of Chemistry, University of Wisconsin-Madison, Madison, WI 53706.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

WI11			15min4:30

CONFORMATION-SPECIFIC UV and IR SPECTROSCOPY OF CONFORMATIONALLY CONSTRAINED alpha

PEPTIDE FOLDAMERS.

RYOJI KUSAKA, Department of Chemistry, Purdue University, West Lafayette, IN 47907, and Department of Chemistry, Graduate School of Science, Hiroshima University, Higashi-Hiroshima, 739-8526, Japan; DI ZHANG, PATRICK WALSH, JOSEPH GORD AND TIMOTHY S. ZWIER, Department of Chemistry, Purdue University, West Lafayette, IN 47907; BRIAN F. FISHER AND SAMUEL H. GELLMAN, Department of Chemistry, University of Wisconsin, Madison, WI 53706.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI]

WI12			15min4:47

MIXED CYCLIC CONSTRAINTS ON CONFORMATIONAL FLEXIBILITY IN beta

-PEPTIDES: CONFORMATION SPECIFIC IR AND UV SPECTROSCOPY.

JOSEPH R. GORD, PATRICK S. WALSH AND TIMOTHY S. ZWIER, Department of Chemistry, Purdue University, West Lafayette. IN 47907; BRIAN F. FISHER AND SAMUEL H. GELLMAN, Department of Chemistry, University of Wisconsin-Madison, Madison, WI 53706.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI13			15min5:04

ACTION IRMPD SPECTROSCOPY OF B₂ FRAGMENT IONS FROM QAXIG AND NAXIG PENTAPEPTIDES.

L. MORRISON, Department of Chemistry, The Ohio State University, Columbus, OH 43210; J. CHAMOT-ROOKE, Department of Mass Spectrometry and Proteomics Research, Pasteur Institute, Paris, France; V. WYSOCKI, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]

WI14			15min5:21

MODIFCATION OF THE PROLYL RING OF VAL-PRO-ALA AND THE IMPACT OF THIS MODIFICATION ON B2 ION STRUCTURE.

MATTHEW C. BERNIER, VICKI H. WYSOCKI, THE OHIO STATE UNIVERSITY, COLUMBUS, OH; ASHLEY GUCINSKI, U. S. FDA, SAINT LOUIS, MO; JULIA CHAMOT-ROOKE, INSTITUT PASTEUR, PARIS, FRANCE.

Abstract: [HTML] [GIF] [PS] [PDF] [DVI] Archived Digital Presentation: [PPT] [GIFS]