FB. MINI-SYMPOSIUM: THEORY AND SPECTROSCOPY

FRIDAY, JUNE 21, 2013 - 8:30AM

Room: 170 MATH ANNEX

Chair: STEPHEN COY, Massachusetts Institute of Technology, Cambridge, MA

FB01 INVITED TALK 30min8:30
ROTATIONAL SPECTROSCOPY MEETS THEORY.

CRISTINA PUZZARINI, Dipartimento di Chimica "G. Ciamician", Università di Bologna, I-40126 Bologna, Italy.

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

FB02 15min9:05
ANALYSIS OF THE MICROWAVE SPECTRUM OF THE THREE-TOP MOLECULE TRIMETHOXYLMETHANE.

L. H. COUDERT, LISA, CNRS/Universités Paris Est et Paris Diderot, 61 Avenue du Général de Gaulle, 94010 Créteil, France; G. FENG AND W. CAMINATI, Dipartimento di Chimica ``G. Ciamician," Università di Bologna, Via F. Selmi, 40126 Bologna, Italy.

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

FB03 15min9:22
EXTENSION OF THE MEASUREMENT, ASSIGNMENT, AND FIT IN THE GROUND STATE OF THE TWO-TOP MOLECULE METHYL ACETATE.

H. V. L. NGUYEN, I. KLEINER, Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA), UMR 7583 (CNRS/Univ. Paris Est et Paris Diderot), Université de Paris Est, 61 avenue du Général de Gaulle, F-94010 Créteil cedex, France; S. SHIPMAN, Division of Natural Sciences, New College of Florida, 5800 Bay Shore Road, Sarasota, FL 34243-2109, USA; AND K. KOBAYASHI, Department of Physics, Faculty of Science, Toyama University, 3190 Gofuku Toyama, Toyama, 930-8555, Japan.

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

FB04 15min9:39
A FITTING PROGRAM FOR MOLECULES WITH TWO EQUIVALENT TOPS AND C2V POINT-GROUP SYMMETRY AT EQUILIBRIUM: APPLICATION TO EXISTING MICROWAVE, MILLIMETER, AND SUB-MILLIMETER WAVE MEASUREMENTS OF ACETONE.

VADIM V. ILYUSHIN, Institute of Radio Astronomy of NASU, Chervonoproporna 4, 61002 Kharkov, Ukraine. NIST Guest Worker June - August 2009.; JON T. HOUGEN, Sensor Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8441, USA.

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

FB05 15min9:56
GAS PHASE ROVIBRATIONAL SPECTROSCOPY OF DMSO, PART.I: WHEN A SYNCHROTRON SOURCE REVEALS AN UNUSUAL ROTATIONAL BEHAVIOUR .

ARNAUD CUISSET, DMITRII A. SADOVSKII, Laboratoire de Physico-Chimie de l'Atmosphère, 189A Ave. Maurice Schumann, 59140 Dunkerque, France; OLIVIER PIRALI, Ligne AILES, synchrotron SOLEIL, L'Orme des Merisiers, Saint Aubin, BP 48, 91192 Gif-sur-Yvette, France..

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

FB06 15min10:13
GAS PHASE ROVIBRATIONAL SPECTROSCOPY OF DMSO, PART II: TOWARDS THE TERAHERTZ OBSERVATION OF 4-FOLD CLUSTERS.

ARNAUD CUISSET, MARIE-ALINE MARTIN-DRUMEL, FRANCIS HINDLE, GAEL MOURET, DMITRII A. SADOVSKII, Laboratoire de Physico-Chimie de l'Atmosphère, 189A Ave. Maurice Schumann, 59140 Dunkerque, France.

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

INTERMISSION

FB07 15min10:45
WHAT IS THE NATURE OF THE DOUBLETS IN THE E-METHANOL LAMB-DIP SPECTRA?.

S. P. BELOV, A. V. BURENIN, G. YU. GOLUBIATNIKOV AND A. V. LAPINOV, Institute of Applied Physics of RAS, 46 Ul'yanova str., GSP-120, Nizhny Novgorod 603950, Russia.

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

FB08 15min11:02
ROTATIONAL SPECTROSCOPY AND QUANTUM CHEMICAL CALCULATIONS OF A FRUIT ESTER: THE MICROWAVE SPECTRUM OF n-BUTYL ACETATE.

T. ATTIG, L. W. SUTIKDJA, R. KANNENGIESSER, W. STAHL, Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, D-52074 Aachen, Germany; I. KLEINER, Laboratoire Interuniversitaire des Systèmes Atmosphériques, CNRS et Universités Paris Diderot et Paris Est, 61 av. Général de Gaulle, 94010, Créteil, France.

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

FB09 15min11:19
HIGH RESOLUTION THZ AND FIR SPECTROSCOPY OF SOCl2.

M. A. MARTIN-DRUMEL, A. CUISSET, D. A. SADOVSKII, G. MOURET, F. HINDLE, Laboratoire de Physico-Chimie de l'Atmosphère, EA 4493, Université du Littoral Côte d'Opale, 59140 Dunkerque, France; O. PIRALI, 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.

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

FB10 15min11:36
STRUCTURE OF THE BENZENE DIMER---GOVERNED BY DYNAMICS.

MELANIE SCHNELL, Center for Free-Electron Laser Science, 22761 Hamburg, Germany; Max-Planck-Institut für Kernphysik, 69117 Heidelberg, Germany; UNDINE ERLEKAM, GERT VON HELDEN, GERARD MEIJER, Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany; PHILIP R. BUNKER, National Research Council of Canada, Ottawa, Ontario K1A 0R6, Canada; JENS-UWE GRABOW, Institut für Physikalische Chemie und Elektrochemie, Gottfried-Wilhelm-Leibniz-Universtät, 30167 Hannover, Germany; AD VAN DER AVOIRD, Institute for Molecules and Materials, Radboud University, 6525 AJ Nijmegen, The Netherlands.

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

FB11 15min11:53
HOW TO CALCULATE SPIN-SPIN COUPLING AND SPIN-ROTATION COUPLING STRENGTHS AND THEIR UNCERTAINTIES FROM SPECTROSCOPIC DATA: APPLICATION TO THE c(13 Sigmag+) STATE OF DIATOMIC LITHIUM.

NIKESH S. DATTANI, Department of Chemistry, Oxford University, Oxford, OX1 3QZ, UK; XUAN LI, Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, 94720-8176, USA.

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FB12 Post-deadline Abstract 10min12:10
VIBRATIONAL VS ELECTRONIC POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF SOME PUSH-PULL METAL PORPHYRINS.

M. H. BEN ALI, Laboratoire de Chimie Théorique Computationnelle et Photonique, faculty of chemistry, USTHB university, Algiers 16111, Algeria; A. SAAL, Department of Chemistry, UMMTO university, Tizi-Ouzou 15000, Algeria; O. OUAMERALI, Laboratoire de Chimie Théorique Computationnelle et Photonique, faculty of chemistry, USTHB university, Algiers 16111, Algeria.

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