. Author manuscript; available in PMC: 2021 Oct 20.

Published in final edited form as: Dalton Trans. 2020 Oct 20;49(40):14088–14098. doi: 10.1039/d0dt02787a

Table 2.

Principal g-values and copper hyperfine couplings, A, obtained from EPR spectral fitting and calculated with DFT (calc.).

Complex	g_z	g_y	g_x	A_z (MHz)	A_y (MHz)	A_x (MHz)
Cu^(II)(NSNS2A) (pH = 7.0)	2.182	2.063	2.036	−504	−76	−13
Cu^(II)(NSNS2A) calc.	2.162	2.058	2.039	−557	30	−17
Cu^(II)(H₂NSNS2A) calc.	2.120	2.041	2.035	−508	−42	−39