. 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 2.

S K X-ray Absorption Edge Energy Positions and Pre-edge Intensities

Complex	S K-Pre-edge^a Energy (eV)	1s→S-S σ^* (eV)^b	S Character in $ψ_{LUMO}^{*}$ (per-hole)^c
Na₂S₂	-	2470.7	NA
1	2469.9	2471.6	19.5%^f
2	2470.9	2471.9	48%^f
3	2470.6^d	2473.0	77%
3	2471.3^e	2473.0	77%

Energy resolution ~0.2 eV.

Lowest energy edge transition.

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

^d,e

The lower and higher energy pre-edge peaks, respectively. These peaks overlap strongly and the error in energy position estimation is ±0.2 eV.

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