dc.contributor.author | MCGUINNESS, CORMAC | en |
dc.date.accessioned | 2015-02-19T11:31:24Z | |
dc.date.available | 2015-02-19T11:31:24Z | |
dc.date.issued | 2010 | en |
dc.date.submitted | 2010 | en |
dc.identifier.citation | L. F. J. Piper, S. W. Cho, Y. Zhang, A. DeMasi, K. E. Smith, A. Y. Matsuura and C. McGuinness, Soft x-ray spectroscopy study of the element and orbital contributions to the electronic structure of copper hexadecafluoro-phthalocyanine, Physical Review B: Condensed Matter and Materials Physics, 81, 4, 2010, 045201:1, 045201:13 | en |
dc.identifier.other | Y | en |
dc.identifier.uri | http://hdl.handle.net/2262/73303 | |
dc.description | PUBLISHED | en |
dc.description.abstract | The electronic structure of copper hexadecafluorophthalocyanine (F16 CuPc) has been measured using soft x-ray emission spectroscopy and x-ray absorption spectroscopy at the C, N, and FK 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 F16 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 CK -edge resonant x-ray emission spectra of F16 CuPc. © 2010 The American Physical Society. | en |
dc.description.sponsorship | This work was supported in part by the NSF under Grant
No. CHE-0807368, and by the U.S. Air Force Office of Sci-
entific Research under Grant No. FA9550-06-1-0157. This
material is based upon works supported by the Science Foun-
dation Ireland under Grant No. 04/BR/P0254. C. McGuin-
ness would also like to thank L.G.M. Pettersson, F. Her-
mann, and B. Brena for helpful discussions. The NSLS is
supported by the U.S. Department of Energy, Office of Sci-
ence, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886 | en |
dc.format.extent | 045201:1 | en |
dc.format.extent | 045201:13 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review B: Condensed Matter and Materials Physics | en |
dc.relation.ispartofseries | 81 | en |
dc.relation.ispartofseries | 4 | en |
dc.rights | Y | en |
dc.subject | copper hexadecafluorophthalocyanine (F16 CuPc) | en |
dc.subject.lcsh | copper hexadecafluorophthalocyanine (F16 CuPc) | en |
dc.title | Soft x-ray spectroscopy study of the element and orbital contributions to the electronic structure of copper hexadecafluoro-phthalocyanine | en |
dc.type | Journal Article | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/cmcguin | en |
dc.identifier.rssinternalid | 64178 | en |
dc.rights.ecaccessrights | openAccess | |
dc.contributor.sponsorGrantNumber | 04/BR/P0254 | en |
dc.subject.TCDTheme | Nanoscience & Materials | en |
dc.identifier.rssuri | http://dx.doi.org/10.1103/PhysRevB.81.045201 | en |