Syntheses, structures and spectra studies of like-scorpionate copper complexes

A planar tridentate pyrazole-triazine like-scorpionate compound, 2,4-bis(3, 5-dimethylpyrazol-1-yl)-6-diethylamino-1, 3, 5-triazine(bpz*eaT) and its two complexes [CuCl(bpz*eaT)EtOH] ·(CuCl ) (1) and Cu Cl (bpz*eaT)(2) were synthesized in the organic solvent system. The complexes were characterized by elemental analysis, IR, UV and fluorescence spectra, thermogravimetric analysis, X-ray powder and X-ray single crystal diffraction technology and the structural characters of the two complexes were analyzed. The structural analysis shows that bpz*eaT is in tridentate chelated coordination mode and the coordination numbers of the center metal coppers in complexes 1 and 2 are all five, exhibiting a slightly distorted pentahedron configuration. Furthermore, the stabilities and charge distribution of the complexes were calcula-ted by quantum chemistry