Aminoalcohols and benzoates-friends or foes? Tuning nuclearity of Cu( ii ) complexes, studies of their structures, magnetism, and catecholase-like activities as well as performing DFT and TDDFT studies

(6)). This order can be rationalized in terms of the electron density on the ligand, which neutralizes the effective positive charge on Cu(ii), thus forming the less or more stable intermediate. The order of catecholase activity and the electronic spectral properties of 4-6 were also investigated by DFT and TDDFT studies, respectively.