. Author manuscript; available in PMC: 2012 Jun 15.

Published in final edited form as: Inorg Chem. 2010 Dec 15;50(2):427–436. doi: 10.1021/ic1006378

Table 2.

Pre-edge peak energies (E, eV), intensities (D₀) and covalencies.

Complex	E (eV)	D₀	Covalency^a	Total covalency
I	2470.1	0.44	17	43
I	2471.0	0.70	26	43

II	2470.5	1.05	39	55
II	2471.6	0.42	16	55

Quantitation was based on the expression D₀=Aα²I(S)/3n, where α² is the S character in each orbital, A is the ground state degeneracy, n is the normalization factor (i.e., number of S atoms contributing to the pre-edge feature, n=1 for complex I and n=2 for complex II) and I(S) is the transition dipole integral (I(S)=8.05 for thiolate³⁴).