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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
Subject(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.
Issue Date:2014-06-18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Ormond, T.; Stanton, J.F.; Ellison, B. POLARIZED MATRIX INFRARED SPECTRA OF CYCLOPENTADIENONE - AN IMPORTANT REACTIVE INTERMEDIATE IN COMBUSTION AND BIOMASS PYROLYSIS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.WI06
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/51102
DOI:10.15278/isms.2014.WI06
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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