Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

application/vnd.openxmlformats-officedocument.presentationml.presentation383148.pptx (2MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

application/pdf1044.pdf (22kB)
AbstractPDF

Description

Title:LOWEST VIBRATIONAL STATES OF ACRYLONITRILE
Author(s):Kisiel, Zbigniew
Contributor(s):Pirali, Olivier; Martin-Drumel, Marie-Aline
Subject(s):Mini-symposium: Accelerator-Based Spectroscopy
Abstract:Recent studies of the broadband rotational spectrum of acrylonitrile, H$_2$C=CHC$equiv$N, revealed the presence of multiple resonances between rotational levels in different vibrational states. The resonances affect even the ground state transitions and their analysis allowed determination of vibrational term values for the first three excited states above the ground statefootnote{Z. Kisiel, et al., {it J. Mol. Spectrosc.} {bf 280} 134 (2012).} and of vibrational energy differences in several polyads above these states.footnote{A. L'opez, et al., {it Astron. & Astrophys.} {bf 572}, A44 (2014).} At that time there was no infrared data of sufficient resolution to assess the reliability of the resonance based vibrational energy determinations. vspace{0.2cm} We presently report results based on a 40-700 cm$^{-1}$ high-resolution spectrum of acrylonitrile recorded at the AILES beamline of the SOLEIL synchrotron. This spectrum was reduced by using the AABS package$^{a,}$footnote{Z. Kisiel, et al., {it J. Mol. Spectrosc.} {bf 233} 231 (2005).} and allowed assignment of vibration-rotation transitions in four fundamentals, five hot bands, and one overtone band. The infrared data and previous measurements made with microwave techniques have been combined into a single global fit encompassing over 31000 measured transitions. Precise vibrational term values have been determined for the eight lowest excited vibrational states. The new results validate the previous estimates from rotational perturbations and are also compared with results of {it ab~initio} anharmonic force field calculations.
Issue Date:23-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79154
Date Available in IDEALS:2016-01-05


This item appears in the following Collection(s)

Item Statistics