Authors
Jones, D. B.Ali, E.
Nixon, K. L.
Limão-Vieira, P.
Hubin-Franskin, M.-J.
Delwiche, J.
Ning, C. G.
Colgan, J.
Murray, A. J.
Madison, D. H.
Brunger, M. J.
Issue Date
2015-11-14
Metadata
Show full item recordAbstract
The He(i) photoelectron spectrum of furfural has been investigated, with its vibrational structure assigned for the first time. The ground and excited ionized states are assigned through ab initio calculations performed at the outer-valence Green’s function level. Triple differential cross sections (TDCSs) for electron-impact ionization of the unresolved combination of the 4a″ + 21a′ highest and next-highest occupied molecular orbitals have also been obtained. Experimental TDCSs are recorded in a combination of asymmetric coplanar and doubly symmetric coplanar kinematics. The experimental TDCSs are compared to theoretical calculations, obtained within a molecular 3-body distorted wave framework that employed either an orientation average or proper TDCS average. The proper average calculations suggest that they may resolve some of the discrepancies regarding the angular distributions of the TDCS, when compared to calculations employing the orbital average.Citation
Electron- and photon-impact ionization of furfural 2015, 143 (18):184310 The Journal of Chemical PhysicsJournal
The Journal of Chemical PhysicsAdditional Links
http://aip.scitation.org/doi/10.1063/1.4935444Type
Journal articleLanguage
enISSN
0021-96061089-7690
ae974a485f413a2113503eed53cd6c53
10.1063/1.4935444
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