University of Illinois Urbana-Champaign

Polarized Matrix Infrared Spectra Of Cyclopentadienone - An Important Reactive Intermediate In Combustion And Biomass Pyrolysis

Ormond, Thomas

Permalink

https://hdl.handle.net/2142/51102

Description

Title
Polarized Matrix Infrared Spectra Of Cyclopentadienone - An Important Reactive Intermediate In Combustion And Biomass Pyrolysis
Author(s)
Ormond, Thomas
Contributor(s)
  • Stanton, John F.
  • Ellison, Barney
Issue Date
2014-06-18
Keyword(s)
Comparing theory and experiment
Abstract
A detailed vibrational analysis of the infrared spectra of cyclopentadienone (C5H4=O and C5D4=O) in rare gas matrices has been carried out. Ab initio coupled-cluster anharmonic force field calculations were used to guide the assignments. Flash pyrolysis of o-phenylene sulfite (C6H4O2SO and C6D4O2SO) was used to provide a molecular beam of cyclopentadienone entrained in the rare gas carrier. The beam was interrogated with time-of-flight photoionization mass spectrometry (TOF-PIMS), confirming the clean, intense production of C5H4=O. Matrix isolation infrared spectroscopy was coupled with 355 nm polarized UV for photo-orientation and linear dichroism experiments to determine the symmetries of the vibrations.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Language
English
Permalink
http://hdl.handle.net/2142/51102
DOI
https://doi.org/10.15278/isms.2014.WI06
Copyright and License Information
Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

Owning Collections

Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy PRIMARY