Electronic structure of N,N′-ethylene-bis(1,1,1-trifluoropentane-2,4- dioneiminato)-copper(ii) (Cu-TFAC), from soft X-ray spectroscopies and density functional theory calculations

A. Demasi, S. W. Cho, L. F.J. Piper, A. R.H. Preston, K. E. Smith, R. J. Allenbaugh, W. A. Barksdale, L. H. Doerrer

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The element and orbital-specific electronic structure of thin films of the organic material N,N′-ethylene-bis(1,1,1-trifluoropentane-2,4- dioneiminato)-copper(ii) (designated as Cu-TFAC) has been studied using a combination of synchrotron radiation-excited resonant X-ray emission spectroscopy, X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and density functional theory calculations. Furthermore, resonant X-ray emission at the carbon K-edge was used to measure the density of states for individual C sites in the molecule.

Original languageEnglish
Pages (from-to)3171-3177
Number of pages7
JournalPhysical Chemistry Chemical Physics
Issue number13
Publication statusPublished - 2010 Mar 23


All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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