Ultrafine copper phthalocyanine complex and its molecular structure in solvents

In this work, ultrafine blue pigment copper phthalocyanine (CuPc) complex particles were prepared by anti-solvent precipitation with in situ modification and characterized by SEM, FT-IR and ζ-potential test. Experimental results showed the prepared particles with average size of 600 nm displayed significant improvement in stability and electrophoretic mobility. Sedimentation of the prepared particles in the medium was nearly down to zero within 100 h and the electronic response time reduced to 1.14 s compared to 45.4 s of raw materials. Besides, molecular geometry and vibrational spectroscopy of CuPc-DMSO complex were investigated using DFT method at B3LYP (6-31G, Lanl2dz) levels. The solvent effects have been taken into account based on the polarizable continuum model (PCM). The calculated results demonstrated that the IR spectra agreed with the experimental data rather well and introduction of dielectric medium has obvious effect on the molecular geometry of CuPc-DMSO complex.