Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/86342
Type: Artigo de periódico
Title: An Experimental And Theoretical Investigation Into The Excited Electronic States Of Phenol
Author: Jones D.B.
Da Silva G.B.
Neves R.F.C.
Duque H.V.
Chiari L.
De Oliveira E.M.
Lopes M.C.A.
Da Costa R.F.
Varella M.T.D.N.
Bettega M.H.F.
Lima M.A.P.
Brunger M.J.
Abstract: We present experimental electron-energy loss spectra (EELS) that were measured at impact energies of 20 and 30 eV and at angles of 90° and 10°, respectively, with energy resolution ∼70 meV. EELS for 250 eV incident electron energy over a range of angles between 3°and 50°have also been measured at a moderate energy resolution (∼0.9 eV). The latter spectra were used to derive differential cross sections and generalised oscillator strengths (GOS) for the dipole-allowed electronic transitions, through normalization to data for elastic electron scattering from benzene. Theoretical calculations were performed using time-dependent density functional theory and single-excitation configuration interaction methods. These calculations were used to assign the experimentally measured spectra. Calculated optical oscillator strengths were also compared to those derived from the GOS data. This provides the first investigation of all singlet and triplet excited electronic states of phenol up to the first ionization potential. © 2014 AIP Publishing LLC.
Editor: American Institute of Physics Inc.
Rights: aberto
Identifier DOI: 10.1063/1.4893116
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-84906568763&partnerID=40&md5=620de63b639b26f3807aaa1b52402033
Date Issue: 2014
Appears in Collections:Unicamp - Artigos e Outros Documentos

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