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

Silva, F. Ferreira da; Lange, Emily; Limão-Vieira, P.; Jones, Nycola C.; Hoffmann, Soren Vronning; Hubin-Franskin, Marie Jeanne; Delwiche, Jacques P.; Brunger, Michael J.; Neves, Rafael F. C.; Lopes, Maria Cristina Andreolli; Silva, Maria João Oliveira e; Costa, Romarly F. da; Varella, Márcio T. N.; Bettega, Márcio H.F.; Blanco, Francisco J.; García, Gustavo A.; Lima, Marco A. P.; Jones, Darryl B.

doi:https://doi.org/10.1063/1.4932603

Utilize este identificador para referenciar este registo: http://hdl.handle.net/10362/36244

Título:	Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations
Autor:	Silva, F. Ferreira da Lange, Emily Limão-Vieira, P. Jones, Nycola C. Hoffmann, Soren Vronning Hubin-Franskin, Marie Jeanne Delwiche, Jacques P. Brunger, Michael J. Neves, Rafael F. C. Lopes, Maria Cristina Andreolli Silva, Maria João Oliveira e Costa, Romarly F. da Varella, Márcio T. N. Bettega, Márcio H.F. Blanco, Francisco J. García, Gustavo A. Lima, Marco A. P. Jones, Darryl B.
Palavras-chave:	BEAM IRRADIATION PRETREATMENT DIFFERENTIAL CROSS-SECTIONS ENZYMATIC-HYDROLYSIS 2-FURALDEHYDE VAPOR VUV PHOTOABSORPTION ABSORPTION BIOFUELS PHOTOCHEMISTRY Physics and Astronomy(all) Physical and Theoretical Chemistry
Data:	14-Out-2015
Citação:	Silva, F. F. D., Lange, E., Limão-Vieira, P., Jones, N. C., Hoffmann, S. V., Hubin-Franskin, M. J., Delwiche, J. P., Brunger, M. J., Neves, R. F. C., Lopes, M. C. A., Silva, M. J. O. E., Costa, R. F. D., Varella, M. T. N., Bettega, M. H. F., Blanco, F. J., García, G. A., Lima, M. A. P., & Jones, D. B. (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), Article 144308. https://doi.org/10.1063/1.4932603
Resumo:	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.
Descrição:	F.F.S. and P.L.V. acknowledge the Portuguese Foundation for Science and Technology (FCT-MEC) through Grant Nos. SFRH/BPD/68979/2010 and SFRH/BSAB/105792/2014, respectively, the research Grant Nos. PTDC/FIS-ATO/1832/2012 and UID/FIS/00068/2013. P.L.V. also acknowledges his Visiting Research Fellow position at Flinders University, Adelaide, South Australia. The Patrimoine of the University of Liege, the Fonds National de la Recherche Scientifique, and the Fonds de la Recherche Fondamentale Collective of Belgium have also supported this research. E.L. and R.F.C.N. thank CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. The authors wish to acknowledge the beam time at the ISA synchrotron at Aarhus University, Denmark. The research leading to these results has received funding from the European Community's Seventh Framework Programme (Grant No. FP7/2007-2013) CALIPSO under Grant Agreement No. 312284. D.B.J. thanks the Australian Research Council for financial support provided through a Discovery Early Career Research Award. M.J.B. also thanks the Australian Research Council for some financial support, while M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG for financial support. F.B. and G.G. acknowledge partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the EU COST Action No. CM1301 (CELINA). Finally, R.F.C., M.T.do N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq.
Peer review:	yes
URI:	http://www.scopus.com/inward/record.url?scp=84944246140&partnerID=8YFLogxK
DOI:	https://doi.org/10.1063/1.4932603
ISSN:	0021-9606
Aparece nas colecções:	FCT: DF - Artigos em revista internacional com arbitragem científica

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