Multiple users have reported problems submitting materials to IDEALS. We are aware of the issue and are working to correct it ASAP. We appreciate your patience!

University of Illinois Urbana-Champaign

Structural characterization of phenoxy radical using a mass-correlated broadband microwave spectrometer

Hernandez-Castillo, Alicia O.

Permalink

https://hdl.handle.net/2142/100687

Description

Title
Structural characterization of phenoxy radical using a mass-correlated broadband microwave spectrometer
Author(s)
Hernandez-Castillo, Alicia O.
Contributor(s)
  • Zwier, Timothy S.
  • Stanton, John F.
  • Abeysekera, Chamara
Issue Date
2018-06-20
Keyword(s)
Structure determination
Date of Ingest
  • 2018-08-17T16:09:31Z
  • 2018-12-12T22:36:46Z
Abstract
We have combined the high-resolution provided by chirped pulse Fourier transform microwave (CP-FTMW) spectroscopy with a vacuum ultraviolet (VUV) time-of-flight mass spectrometry (TOF-MS) that allows us to find optimal conditions to detect reactive intermediates. This unique setup was used to structurally characterize the phenoxy radical. This is an important intermediate in the oxidation of many aromatic compounds. The decomposition of this radical has as primary product cyclopentadienyl radical, which is an important species in the formation of polynuclear aromatic hydrocarbons. Phenoxy radical was generated through the pyrolysis of anisole and allyl phenyl ether. The work was carried out over a 300-1500 K temperature range, using a high-temperature flash pyrolysis micro-reactor coupled with a supersonic expansion. The 2-18 GHz pure rotational spectrum was obtained concurrently with the mass spectrum and determined the resonant-stabilized radical molecular parameters. For further structural analysis spectra of 13C isotopomers were obtained using segmented chirps. The new structural insights and the pyrolysis setup coupled with the CP-FTMW/TOF spectrometer will be discussed.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/100687
DOI
10.15278/isms.2018.WK02
Copyright and License Information
Copyright 2018 Alicia O. Hernandez-Castillo

Owning Collections

Abstracts & Presentations - 2018 International Symposium on Molecular Spectroscopy PRIMARY