Theoretical examination of optical and EPR spectra for Cu2+ ion in K2PdCl4 crystal

In this work, two d–d transition spectra and four EPR parameters g∥, g⊥, A∥, A⊥ of K2PdCl4/Cu2+ are uniformly interpreted based on Zhaoʹs crystal-field model. The calculation result is in good agreement with the experiment findings. The ligand spin-orbit coupling is neglected on the calculation, which is consistent with the ab initio result by Hillier et al. [J. Am. Chem. Soc. 98 (1976) 95]