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Issue 13, 2010
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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,a  S. W. Cho,a  L. F. J. Piper,a  A. R. H. Preston,a  K. E. Smith,*a  R. J. Allenbaugh,b  W. A. Barksdaleb  and  L. H. Doerrerb 
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* Corresponding authors

a Department of Physics, Boston University, Boston, USA
E-mail: ksmith@bu.edu

b Department of Chemistry, Boston University, Boston, USA

Abstract

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.

Graphical abstract: 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

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Publication details

The article was received on 11 Dec 2009, accepted on 19 Jan 2010 and first published on 10 Feb 2010


Article type: Paper
DOI: 10.1039/B926277F
Citation: Phys. Chem. Chem. Phys., 2010,12, 3171-3177
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    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 and L. H. Doerrer, Phys. Chem. Chem. Phys., 2010, 12, 3171
    DOI: 10.1039/B926277F

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