Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

F Ferreira da Silva; E Lange; Paulo Limao-Vieira; N. Jones; S Hoffmann; M Hubin-Fraskin; J Delwiche; Michael Brunger; Rafael Coelho Neves; M Lopes; E de Oliveira; R da Costa; Marcio Varella; Marcio Bettega; Francisco Blanco; Garcia G; Marco Lima; Darryl Jones

doi:10.1063/1.4932603

Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

F Ferreira da Silva, E Lange, Paulo Limao-Vieira, N. Jones, S Hoffmann, M Hubin-Fraskin, J Delwiche, Michael Brunger, Rafael Coelho Neves, M Lopes, E de Oliveira, R da Costa, Marcio Varella, Marcio Bettega, Francisco Blanco, Garcia G, Marco Lima, Darryl Jones

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

Abstract

The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

Original language	English
Article number	144308
Pages (from-to)	144308-144321
Number of pages	14
Journal	Journal of Chemical Physics
Volume	143
Issue number	14
DOIs	https://doi.org/10.1063/1.4932603
Publication status	Published - 14 Oct 2015

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10.1063/1.4932603

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Ferreira da Silva, F., Lange, E., Limao-Vieira, P., Jones, N., Hoffmann, S., Hubin-Fraskin, M., Delwiche, J., Brunger, M., Coelho Neves, R., Lopes, M., de Oliveira, E., da Costa, R., Varella, M., Bettega, M., Blanco, F., G, G., Lima, M., & Jones, D. (2015). Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations. Journal of Chemical Physics, 143(14), 144308-144321. Article 144308. https://doi.org/10.1063/1.4932603

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title = "Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations",

abstract = "The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.",

author = "{Ferreira da Silva}, F and E Lange and Paulo Limao-Vieira and N. Jones and S Hoffmann and M Hubin-Fraskin and J Delwiche and Michael Brunger and {Coelho Neves}, Rafael and M Lopes and {de Oliveira}, E and {da Costa}, R and Marcio Varella and Marcio Bettega and Francisco Blanco and Garcia G and Marco Lima and Darryl Jones",

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doi = "10.1063/1.4932603",

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Ferreira da Silva, F, Lange, E, Limao-Vieira, P, Jones, N, Hoffmann, S, Hubin-Fraskin, M, Delwiche, J, Brunger, M, Coelho Neves, R, Lopes, M, de Oliveira, E, da Costa, R, Varella, M, Bettega, M, Blanco, F, G, G, Lima, M & Jones, D 2015, 'Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations', Journal of Chemical Physics, vol. 143, no. 14, 144308, pp. 144308-144321. https://doi.org/10.1063/1.4932603

Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations. / Ferreira da Silva, F; Lange, E; Limao-Vieira, Paulo et al.
In: Journal of Chemical Physics, Vol. 143, No. 14, 144308, 14.10.2015, p. 144308-144321.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

AU - Ferreira da Silva, F

AU - Lange, E

AU - Limao-Vieira, Paulo

AU - Jones, N.

AU - Hoffmann, S

AU - Hubin-Fraskin, M

AU - Delwiche, J

AU - Brunger, Michael

AU - Coelho Neves, Rafael

AU - Lopes, M

AU - de Oliveira, E

AU - da Costa, R

AU - Varella, Marcio

AU - Bettega, Marcio

AU - Blanco, Francisco

AU - G, Garcia

AU - Lima, Marco

AU - Jones, Darryl

PY - 2015/10/14

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AB - The electronic spectroscopy of isolated furfural (2-furaldehyde) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 3.5-10.8 eV energy-range, with absolute cross section measurements derived. Electron energy loss spectra are also measured over a range of kinematical conditions. Those energy loss spectra are used to derive differential cross sections and in turn generalised oscillator strengths. These experiments are supported by ab initio calculations in order to assign the excited states of the neutral molecule. The good agreement between the theoretical results and the measurements allows us to provide the first quantitative assignment of the electronic state spectroscopy of furfural over an extended energy range.

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M1 - 144308

ER -

Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

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