LOWEST VIBRATIONAL STATES OF ACRYLONITRILE

Kisiel, Zbigniew

Permalink

https://hdl.handle.net/2142/79154 Copy

Description

Title

LOWEST VIBRATIONAL STATES OF ACRYLONITRILE

Author(s)

Kisiel, Zbigniew

Contributor(s)

• Pirali, Olivier
• Martin-Drumel, Marie-Aline

Issue Date

23-Jun-15

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/79154

Owning Collections