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.
authors.affiliation: Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica, Portugal.
authors.forename: F
authors.initials: F
authors.lastname: Ferreira da Silva
authors.affiliation: Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica, Portugal.
authors.forename: E
authors.initials: E
authors.lastname: Lange
authors.affiliation: Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica, Portugal.
authors.forename: P
authors.initials: P
authors.lastname: Limão-Vieira
authors.affiliation: ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Århus C, Denmark.
authors.forename: N C
authors.initials: NC
authors.lastname: Jones
authors.affiliation: ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Århus C, Denmark.
authors.forename: S V
authors.initials: SV
authors.lastname: Hoffmann
authors.affiliation: Départment de Chimie, Institut de Chimie-Bât. B6C, Université de Liège, B-4000 Liège 1, Belgium.
authors.forename: M-J
authors.initials: MJ
authors.lastname: Hubin-Franskin
authors.affiliation: Départment de Chimie, Institut de Chimie-Bât. B6C, Université de Liège, B-4000 Liège 1, Belgium.
authors.forename: J
authors.initials: J
authors.lastname: Delwiche
authors.affiliation: School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia.
authors.forename: M J
authors.initials: MJ
authors.lastname: Brunger
authors.affiliation: School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia.
authors.forename: R F C
authors.initials: RF
authors.lastname: Neves
authors.affiliation: Departamento de Física, Universidade Federal de Juíz de Fora, Juíz de Fora, MG, Brazil.
authors.forename: M C A
authors.initials: MC
authors.lastname: Lopes
authors.affiliation: Instituto de Física "Gleb Wataghin," Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo, Brazil.
authors.forename: E M
authors.initials: EM
authors.lastname: de Oliveira
authors.affiliation: Instituto de Física "Gleb Wataghin," Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo, Brazil.
authors.forename: R F
authors.initials: RF
authors.lastname: da Costa
authors.affiliation: Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, Brazil.
authors.forename: M T do N
authors.initials: MT
authors.lastname: Varella
authors.affiliation: Departamento de Física, Universidade Federal do Paraná, CP 19044, Curitiba, Paraná 81531-990, Brazil.
authors.forename: M H F
authors.initials: MH
authors.lastname: Bettega
authors.affiliation: Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040, Spain.
authors.forename: F
authors.initials: F
authors.lastname: Blanco
authors.affiliation: Instituto de Fisica Fundamental, CSIC, Serrano 113-bis, 28006 Madrid, Spain.
authors.forename: G
authors.initials: G
authors.lastname: García
authors.affiliation: Instituto de Física "Gleb Wataghin," Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo, Brazil.
authors.forename: M A P
authors.initials: MA
authors.lastname: Lima
authors.affiliation: School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia.
authors.forename: D B
authors.initials: DB
authors.lastname: Jones
mesh_terms: D004583:Electrons; D005662:Furaldehyde / Q000737:chemistry*; D011789:Quantum Theory; D013056:Spectrophotometry, Ultraviolet; D046590:Spectroscopy, Electron Energy-Loss
chemical_list: D005662:Furaldehyde