A New phenoxido/trifluoroacetato bridged heterometallic Ni-2(II)-Cu-II derivative: Structure, EPR interpretation and DFT computation

Das K., Datta A., Mendiratta S., Garribba E., Frontera A., CANTÜRK Z.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1175, ss.948-955, 2019 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1175
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1016/j.molstruc.2018.08.065
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.948-955
  • Anahtar Kelimeler: Ni-2(II)-Cu-II, Crystal structure, EPR, DFT, Biological study, MAGNETIC EXCHANGE INTERACTIONS, TRANSITION-METAL-COMPLEXES, SCHIFF-BASE LIGAND, COPPER(II) COMPLEXES, CRYSTAL-STRUCTURE, ELECTROCHEMICAL PROPERTIES, ELECTRONIC-PROPERTIES, MOLECULAR-STRUCTURE, CU(II) COMPLEXES, DOUBLY PHENOXO
  • Anadolu Üniversitesi Adresli: Evet

Özet

The trinuclear heterometallic Ni-2(II)-Cu-II complex, [Ni-2(L)(2)(CF3COO)(2)Cu] (1) is afforded incorporating a tetradentate Schiff base precursor, H2L [where H2L = N,N'-bis(salicylidene)-1,3-propanediamine]. In 1, the two terminal Ni-II atoms are linked to the central Cu-II by a syn-anti bridging trifluroacetate and a double phenoxido bridge, giving rise to a linear structure. The EPR spectra show that the trinuclear structure remains unchanged in non-coordinating solvents, whereas in DMF and DMSO the resonances of mononuclear Cu-II species with an axial symmetry and a well-resolved hyperfine structure are observed. DFT calculations reveal that the spin Hamiltonian parameters are g(z) 2.22 and A(z) 176.4 x 10(-4) cm(-1), which are in good agreement with the experimental values. The biological outcome of complex 1 on the viability of different human carcinoma cells are analyzed by MTT assay and the results suggest that it induces a decrease in cell-population growth with apoptosis. (C) 2018 Elsevier B.V. All rights reserved.