Soft X-Ray Spectroscopy Study of the Element and Orbital Contributions to the Electronic Structure of Copper Hexadecafluoro-Phthalocyanine
The electronic structure of copper hexadecafluorophthalocyanine (F{sub 16}CuPc) has been measured using soft x-ray emission spectroscopy and x-ray absorption spectroscopy at the C, N, and F K edges. Our element- and orbital-specific measurements confirm that substitution of hydrogen for fluorine leads to profound changes in the electronic environment of the carbon atoms in contrast to that of the nitrogen atoms. These findings are supported by simulated x-ray absorption and emission spectra of F{sub 16}CuPc calculated by density-functional theory methods. The experimental results are directly compared with those of CuPc. Additional information regarding specific carbon sites is obtained from the evolution of the C K-edge resonant x-ray emission spectra of F{sub 16}CuPc.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
- Sponsoring Organization:
- DOE - OFFICE OF SCIENCE
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 1020032
- Report Number(s):
- BNL-95878-2011-JA; TRN: US201116%%16
- Journal Information:
- Physical Review B: Condensed Matter and Materials Physics, Vol. 81, Issue 4; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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