Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations.
J Chem Phys
; 143(14): 144308, 2015 Oct 14.
Article
em En
| MEDLINE
| ID: mdl-26472380
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.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Teoria Quântica
/
Espectroscopia de Perda de Energia de Elétrons
/
Furaldeído
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2015
Tipo de documento:
Article
País de afiliação:
Portugal