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

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

Physics

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4 Citations (Scopus)

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.

Original language	English
Pages (from-to)	3171-3177
Number of pages	7
Journal	Physical Chemistry Chemical Physics
Volume	12
Issue number	13
DOIs	https://doi.org/10.1039/b926277f
Publication status	Published - 2010

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1039/b926277f

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Demasi, A., Cho, S. W., Piper, L. F. J., Preston, A. R. H., Smith, K. E., Allenbaugh, R. J., Barksdale, W. A., & Doerrer, L. H. (2010). 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. Physical Chemistry Chemical Physics, 12(13), 3171-3177. https://doi.org/10.1039/b926277f

@article{244473da2ffc48838abad88636751e63,

title = "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",

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.",

author = "A. Demasi and Cho, {S. W.} and Piper, {L. F.J.} and Preston, {A. R.H.} and Smith, {K. E.} and Allenbaugh, {R. J.} and Barksdale, {W. A.} and Doerrer, {L. H.}",

year = "2010",

doi = "10.1039/b926277f",

language = "English",

volume = "12",

pages = "3171--3177",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "13",

}

Demasi, A, Cho, SW, Piper, LFJ, Preston, ARH, Smith, KE, Allenbaugh, RJ, Barksdale, WA & Doerrer, LH 2010, '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', Physical Chemistry Chemical Physics, vol. 12, no. 13, pp. 3171-3177. https://doi.org/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. / Demasi, A.; Cho, S. W.; Piper, L. F.J. et al.
In: Physical Chemistry Chemical Physics, Vol. 12, No. 13, 2010, p. 3171-3177.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - 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

AU - Demasi, A.

AU - Cho, S. W.

AU - Piper, L. F.J.

AU - Preston, A. R.H.

AU - Smith, K. E.

AU - Allenbaugh, R. J.

AU - Barksdale, W. A.

AU - Doerrer, L. H.

PY - 2010

Y1 - 2010

N2 - 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.

AB - 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.

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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

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