Influence of substituents on the structure of Schiff bases Cu(II) complexes

摘要: Abstract The relationship between molecular conformation and substituent effects of salicylaldehyde Schiff-base Cu(II) complexes was explored. For this study, eight samples the Cu(Sal-X)2 (X = OMe, Me, H, F, Cl, Br, CF3 CN) were obtained by reaction Cu(OAc)2 with Schiff base ligands (Sal-X) derived from Salicydaldehyde, their crystal structures characterized X-ray diffraction technique. QSPR methods employed to achieve deeper insight into geometry structure Cu(Sal-X)2. results show that main geometrical parameters are dominated substituents on aniline ring. That is, dihedral angle τ1 Cu–O–N plane O–C N increases increase electron-donating effect electron-withdrawing substituents, whereas electronic has opposite τ2, which is ring C–N–Cu plane. Moreover, bond length L Cu - decreases growing excited-state parameter σ cc e x enhances energy C–N bond.