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

doi:10.1039/b926277f

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

Phys Chem Chem Phys. 2010 Apr 7;12(13):3171-7. doi: 10.1039/b926277f. Epub 2010 Feb 10.

Authors

A DeMasi¹, S W Cho, L F J Piper, A R H Preston, K E Smith, R J Allenbaugh, W A Barksdale, L H Doerrer

Affiliation

¹ Department of Physics, Boston University, Boston, MA 02215, USA.

PMID: 20237706
DOI: 10.1039/b926277f

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.