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. Author manuscript; available in PMC: 2009 Jan 16.
Published in final edited form as: J Am Chem Soc. 2007 Dec 13;130(2):676–686. doi: 10.1021/ja0762745

Table 1.

Cu K- and L-edge X-ray Absorption Edge Energy Positions (eV) and Cu Character in the ψLUMO*.

Cu K-edgea Cu L-edgeb


Complex 1s→3d 1s→4p + 2p→3d Cu Character in
Shakedown L3 edge L2 edge ψLUMO* (per-hole)c




1 8978.5 - 930.9 951.0 63%d
2 8979.3 - 931.7 951.7 37%d
3 8979.7 8985.7 932.0 952.0 22%
a

Energy resolution ~1 eV.

b

Energy resolution ~0.1 eV.

c

Error in total intensity due to data processing and fitting is ± 5%.

d

Error in estimation of total intensity is 8% (see Experimental Section).