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Pd(II) and Pt(II) Mixed Ligand Complexes Containing 2,5-Dimercapto-1,3,4-Thiadizole and 1,2-Bis(diphenylphosphino)ethane Ligands, Synthesis, Characterization, Crystal Structure, Anticancer and Computational Studies

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Abstract

One pot reaction of K2MCl4 with two equivalents of 2,5-dimercapto-1,3,4-thiadiazole (dmtzsH2) and one equivalent of 1,2-bis(diphenylphosphino)ethane (dppe) in MeOH/CH2Cl2 mixed solvents resulted in the formation of [M(dmtzsH)2(dppe)], M = Pd 1 or Pt 2 in 49 and 77% yield respectively. The same products were obtained in 54 and 80% yield on using two equivalents of KOH in EtOH/CH2Cl2 mixed solvents. The prepared complexes were characterized by elemental analysis, magnetic susceptibility, molar conductance, UV–Visible, FT-IR, 1H, 31P-{1H} nmr spectroscopy and 1 by X-ray crystallography. The crystal structure of 1 reveal that the two dmtzsH ligands function as monodentate binding to palladium through the exocyclic sulfur atom in a thiolate form, whereas dppe binds in a bidentate chelate fashion. The two complexes 1 and 2 were evaluated for their anti-cancer activity using in vitro methods against the MCF-7 cell line, a type of Breast cancer cell. The results indicated that both complexes exhibit a promising anticancer effect, IC50 values of 55 µg/ml at a concentration of 500 µg/ml. The stability and molecular reactivity of the ligands and complexes have been demonstrated through the utilization of density functional theory (DFT) and Hirshfeld analysis.

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Fig.1
Scheme 1.
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The datasets generated and analyzed during the current study are available from the corresponding author on reasonable request.

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Acknowledgements

Authors are grateful to the Chemistry Department, the College of Education and the Salahaddin University for their cooperation in accomplishment of this work.

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  1. Hikmat A. Mahamad: Deceased.

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  1. Department of Chemistry, College of Education, Salahaddin University, Erbil, 44001, Iraq

    Rezan Ali Saleh & Hikmat A. Mahamad

  2. Department of Chemistry, College of Science, Tikrit University, Tikrit, Iraq

    Subhi A. Al-Jibori

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Saleh, R.A., Mahamad, H.A. & Al-Jibori, S.A. Pd(II) and Pt(II) Mixed Ligand Complexes Containing 2,5-Dimercapto-1,3,4-Thiadizole and 1,2-Bis(diphenylphosphino)ethane Ligands, Synthesis, Characterization, Crystal Structure, Anticancer and Computational Studies. Chemistry Africa (2024). https://doi.org/10.1007/s42250-024-00929-y

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