University of Illinois Urbana-Champaign

Elecronic structure of alkoxy radical isomers from anion PEI spectroscopy

Patros, Kellyn M.

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1212201.pptx
3303.pdf
ISMS 2018 Patros.pdf

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https://hdl.handle.net/2142/100691

Description

Title
Elecronic structure of alkoxy radical isomers from anion PEI spectroscopy
Author(s)
Patros, Kellyn M.
Contributor(s)
  • Chick Jarrold, Caroline
  • Mann, Jennifer
Issue Date
2018-06-20
Keyword(s)
Radicals
Date of Ingest
  • 2018-08-17T16:09:32Z
  • 2018-12-12T22:36:59Z
Abstract
Anion photoelectron imaging spectra of two butenoxyl (3-buten-1-oxyl and 3-buten-2-oxyl) radical isomers are presented. The neutral electron affinities are comparable to those measured for saturated alkoxy radicals [Ramond et al., J. Chem. Phys. 112, 1158 (2000)], and the measured term energies for the A˜ 2A state of both isomers is approximately 0.1 eV. However, spectra of the two isomers exhibit distinct differences, particularly in the low electron binding energy signal that may be due to the presence of structural isomers. The experimental spectra are analyzed with supporting MP2 calculations and Franck-Condon simulations. Overall, the results underscore how the electronic properties vary with subtle changes in alkoxy radical structure, which may have implications for atmospheric photochemistry, as alkoxy radicals are key intermediates of the tropospheric oxidation of volatile organic compounds.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/100691
DOI
10.15278/isms.2018.WD09
Copyright and License Information
Copyright 2018 Kellyn M. Patros

Owning Collections

Abstracts & Presentations - 2018 International Symposium on Molecular Spectroscopy PRIMARY