Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

application/vnd.openxmlformats-officedocument.presentationml.presentation1145040.pptx (1MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

application/pdf3120.pdf (24kB)
AbstractPDF

Description

Title:A NEW MULTI-STATE VIBRATION-TORSION-ROTATION FITTING PROGRAM FOR MOLECULES WITH A C3v TOP AND Cs FRAME: APPLICATION TO THE ν10 BAND OF ACETALDEHYDE
Author(s):Ilyushin, V.
Contributor(s):Hougen, Jon T.; Kleiner, Isabelle; Mellau, Georg Ch.; Sydow, Christian; Maul, Christof; Bauerecker, Sigurd; Pirali, Olivier; Goubet, Manuel; Motiyenko, R. A.; Margulès, L.; Dorovskaya, Olga; Alekseev, E. A.
Subject(s):Large amplitude motions, internal rotation
Abstract:A new program is described for fitting several isolated small-amplitude fundamentals embedded in a pure torsional bath in molecules like acetaldehyde, in which the frame has C$_{s}$ symmetry and the methyl top has C$_{3v}$ symmetry. The program is based on the Longuet-Higgins group theoretical ideas and uses the Rho-axis method. In the talk the basic ideas, the structure of the program as well as the strategy for checking the program will be discussed. Also we present the first results \footnote{ This work was done under support of the Volkswagen foundation. The assistance of Science and Technology Center in Ukraine is acknowledged (STCU partner project P686).} of application of the new program to the spectrum of the \nub{10} vibrational state of acetaldehyde, \chem{CH_3CHO}, near 509 \wn. The analysis of the 509 \wn band is accompanied by the analysis of microwave spectrum of the \nub{10} vibrational state and v$_{t}$ = 3,4 torsional states of acetaldehyde.
Issue Date:06/19/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100534
DOI:10.15278/isms.2018.TK08
Other Identifier(s):TK08
Date Available in IDEALS:2018-08-17
2018-12-12


This item appears in the following Collection(s)

Item Statistics