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

Hernandez-Castillo, Alicia O.

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

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

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

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

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