Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine

Journal of Chemical Physics 134, 204707 (2011)

Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine

P.L. Cook, W. Yang, X. Liu, J.M. García-Lastra, A. Rubio, F.J. Himpsel

Copper and zinc phthalocyanines and porphyrins are used in organic light emitting diodes and dye- sensitized solar cells. Using near edge x-ray absorption fine structure (NEXAFS) spectroscopy at the Cu 2p and Zn 2p edges, the unoccupied valence states at the Cu and Zn atoms are probed and de- composed into 3d and 4s contributions with the help of density functional calculations. A comparison with the N 1s edge provides the 2p states of the N atoms surrounding the metal, and a comparison with inverse photoemission provides a combined density of states.

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http://dx.doi.org/10.1063/1.3592937

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