Investigation on the Local Structure,Optical Absorption Spectra of Malachite and Azurite

Based on the crystal field theory,the semi-SCF d-orbit wave functions model of free Cu2+ ions and the point-charge model are adopted to establish the quantificational relationship between the local structure and the optical absorption spectrum.The local structure and the optical absorption spectra of malachite and azurite for two sites of Cu2+ ions are explained uniformly.The theoretical calculations agree with the experiment findings well,the unknown electron paramagnetic resonance(EPR) spectrum is calculated at the same time.This work provides a theoretical basis for investigations on the structure,optical proportion,magnetic proportion,heat proportion and high-pressure proportion et al of malachite and azurite.