Issue 13, 2010
From the journal:

Physical Chemistry Chemical Physics

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  

* 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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Article information

DOI
https://doi.org/10.1039/B926277F
Article type
Paper
Submitted
11 Dec 2009
Accepted
19 Jan 2010
First published
10 Feb 2010

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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