Exploring two helical centrosymmetric homotetranuclear Cu (II) bis (salamo)‐based complexes

Two helical centrosymmetric homotetranuclear Cu (II) complexes, [Cu4(L)2(EtOH)2](ClO4)2·2EtOH·2CHCl3 (1) and [{Cu4(L)2(EtOH)2}{Cu4(L)2(HNO3)2}](NO3)4·3EtOH·3MeOH (2), were synthesized by the reactions of a symmetric bis (salamo)-based ligand H3L with Cu(ClO)2·6H2O and Cu(NO)3·3H2O, respectively, and certified by elemental analyses, UV–Visible absorption spectra, infrared spectra and single-crystal X-ray analysis techniques. X-ray crystal structure analyses reveal that four Cu (II) atoms of complex 1 are attached to two deprotonated ligand (L)3− units with the help of two coordinated ethanol molecules, and then forming a helical centrosymmetric complex by H-bonding and π⋯π interactions. While complex 2 unit cell contains two crystallographically independent but chemically identical homotetranuclear complexes (molecules A and B), eight Cu (II) atoms are coordinated by four deprotonated ligand (L)3− units. The coordination mode of four Cu (II) atoms from molecule A is the same as complex 1; at the same time, oxygen atoms on nitrates are involved in the coordination of another four Cu (II) atoms from molecule B. The short-range interactions in complexes 1 and 2 were calculated by Hirshfeld surfaces analyses. The molecular orbital energy levels, molecular stabilities of complexes 1 and 2 were analyzed by DFT calculations. In addition, antibacterial assays were also investigated in detail.