Absolute photoionization cross sections of furanic fuels: 2-ethylfuran, 2-acetylfuran and furfural.
Absolute photoionization cross sections of the molecules 2-ethylfuran, 2-acetylfuran and furfural, including partial ionization cross sections for the dissociative ionized fragments, are measured for the first time. These measurements are important because they allow fuel quantification via photoionization mass spectrometry and the development of quantitative kinetic modeling for the complex combustion of potential fuels. The experiments are carried out using synchrotron photoionization mass spectrometry with an orthogonal time-of-flight spectrometer used for mass analysis at the Advanced Light Source of Lawrence Berkeley National Laboratory. The CBS-QB3 calculations of adiabatic ionization energies and appearance energies agree well with the experimental results. Several bond dissociation energies are also derived and presented.
Department of Chemistry, University of San Francisco, San Francisco, CA, 94117-1080, USA.
Audrey R
AR
Smith
Department of Chemistry, University of San Francisco, San Francisco, CA, 94117-1080, USA.
Giovanni
G
Meloni
D056804:Biofuels / Q000032:analysis; D005662:Furaldehyde / Q000032:analysis / Q000737:chemistry*; D005663:Furans / Q000032:analysis / Q000737:chemistry*; D013058:Mass Spectrometry / Q000379:methods*; D008956:Models, Chemical; D017785:Photons; D017356:Synchrotrons
D056804:Biofuels; D005663:Furans; D005662:Furaldehyde; C039669:2-acetylfuran; C000609805:2-ethylfuran
adiabatic ionization energies; appearance energies; bond dissociation energies; photoionization cross sections; photoionization mass spectrometry