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Electron spectroscopy of ionic liquids: experimental identification of atomic orbital contributions to valence electronic structure.
Fogarty, Richard M; Palgrave, Robert G; Bourne, Richard A; Handrup, Karsten; Villar-Garcia, Ignacio J; Payne, David J; Hunt, Patricia A; Lovelock, Kevin R J.
Afiliación
  • Fogarty RM; Department of Chemistry, Imperial College London, UK.
  • Palgrave RG; Department of Chemistry, University College London, UK.
  • Bourne RA; Institute of Process Research and Development, Schools of Chemistry and Chemical and Process Engineering, University of Leeds, UK.
  • Handrup K; MAX IV Laboratory, Lund University, Lund, Sweden.
  • Villar-Garcia IJ; Department of Materials, Imperial College London, UK.
  • Payne DJ; Department of Materials, Imperial College London, UK.
  • Hunt PA; Department of Chemistry, Imperial College London, UK.
  • Lovelock KRJ; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk.
Phys Chem Chem Phys ; 21(35): 18893-18910, 2019 Sep 11.
Article en En | MEDLINE | ID: mdl-31441923
The atomic contributions to valence electronic structure for 37 ionic liquids (ILs) are identified using a combination of variable photon energy XPS, resonant Auger electron spectroscopy (RAES) and a subtraction method. The ILs studied include a diverse range of cationic and anionic structural moieties. We introduce a new parameter for ILs, the energy difference between the energies of the cationic and anionic highest occupied fragment orbitals (HOFOs), which we use to identify the highest occupied molecular orbital (HOMO). The anion gave rise to the HOMO for 25 of the 37 ILs studied here. For 10 of the ILs, the energies of the cationic and anionic HOFOs were the same (within experimental error); therefore, it could not be determined whether the HOMO was from the cation or the anion. For two of the ILs, the HOMO was from the cation and not from the anion; consequently it is energetically more favourable to remove an electron from the cation than the anion for these two ILs. In addition, we used a combination of area normalisation and subtraction of XP spectra to produce what are effectively XP spectra for individual ions; this was achieved for 10 cations and 14 anions.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2019 Tipo del documento: Article Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Prognostic_studies Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2019 Tipo del documento: Article Pais de publicación: Reino Unido