A New phenoxido/trifluoroacetato bridged heterometallic NiII2sbnd CuII derivative: Structure, EPR interpretation and DFT computation
Abstract
The trinuclear heterometallic Ni2II-CuII complex, [Ni2(L)2(CF3COO)2Cu] (1) is afforded incorporating a tetradentate Schiff base precursor, H2L [where H2L = N,N‧-bis(salicylidene)-1,3-propanediamine]. In 1, the two terminal NiII atoms are linked to the central CuII 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 CuII species with an axial symmetry and a well-resolved hyperfine structure are observed. DFT calculations reveal that the spin Hamiltonian parameters are gz 2.22 and Az 176.4 × 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.
- Publication:
-
Journal of Molecular Structure
- Pub Date:
- January 2019
- DOI:
- 10.1016/j.molstruc.2018.08.065
- Bibcode:
- 2019JMoSt1175..948D
- Keywords:
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- Ni<SUB>2</SUB><SUP>II</SUP>-Cu<SUP>II</SUP>;
- Crystal structure;
- EPR;
- DFT;
- Biological study