. 2016 Feb 24;7(6):3640–3644. doi: 10.1039/c5sc04652a

Table 1. Ni_1s → Ni_3d, S_1s → Ni_3d, S_1s → S*C–S transition energy and S_1s → Ni_3d transition intensity of complexes 1, 2, 4, and [Ni(SPh)(PS₃)]^–, derived from the Ni and S K-edge X-ray absorption spectroscopy.

Complexes	Ni_1s → Ni_3d energy ^a (eV)	S_1s → Ni_3d energy ^b (eV)			S_1s → Ni_3d intensity ^b		S_1s → S*C–S energy ^b (eV)	Relative d-manifold energy shift ^d (eV)
Complexes	Ni_1s → Ni_3d energy ^a (eV)	1^st peak	2^nd peak	Avg ^c	1^st peak	2^nd peak	S_1s → S*C–S energy ^b (eV)	Relative d-manifold energy shift ^d (eV)
1	8332.9	2469.7	2470.4	2470.0	0.29	1.34	2472.1	0
2	8333.1	2469.9	2470.5	2470.3	0.47	1.15	2472.1	0.3
4	8332.7	2469.5	2470.2	2470.1	0.33	1.77	2472.2	0
[Ni(SPh) (PS₃)]^–	8333.0	2469.8	2470.4	2470.3	0.52	1.91	2472.3	0.1

^aThe peak energy is determined by the minimum of the second derivative.

^bThe peak energy and intensity is determined based on the spectral deconvolution.

^cThe intensity-weighted average energy is given here.

^dCalculated from the difference of the thiolate peak energy and the intensity-weighted pre-edge peak energy.

Table 1. Ni1s → Ni3d, S1s → Ni3d, S1s → S*C–S transition energy and S1s → Ni3d transition intensity of complexes 1, 2, 4, and [Ni(SPh)(PS3)]–, derived from the Ni and S K-edge X-ray absorption spectroscopy.