Article ; Online: Spectroscopic, Anti-Cancer Activity, and DFT Computational Studies of Pt(II) Complexes with 1-Benzyl-3-phenylthiourea and Phosphine/Diamine Ligands
Inorganics, Vol 11, Iss 125, p
2023 Volume 125
Abstract: The reaction between [PtCl 2 (L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl 2 (PPh 3 ) 2 ] with 1-benzyl-3-phenylthiourea (H 2 BPT) in a basic medium (CHCl 3 /EtOH) created new coordinated square planner Pt(II) complexes with [Pt(BPT)(L-L)] ...
| Abstract | The reaction between [PtCl 2 (L-L)] (L-L = dppe, dppp, dppb, dppf, Phen and Bipy) or [PtCl 2 (PPh 3 ) 2 ] with 1-benzyl-3-phenylthiourea (H 2 BPT) in a basic medium (CHCl 3 /EtOH) created new coordinated square planner Pt(II) complexes with [Pt(BPT)(L-L)] ( 1 – 4 , 6 , 7 ) and [Pt(BPT)(PPh 3 ) 2 ] ( 5 ) types. These complexes were fully characterized by analytical and spectroscopic techniques (i.e., IR, UV. Vis., 1 H, and 31 P NMR). The results indicated that the thiourea derivative ligand act as a dianion ligand bonded through both S and N atoms in a chelating mode or as a mono-anion ligand coordinated through a sulfur atom with Pt(II) ion. Cytotoxicity activity was performed by the MTT assay to determine anti-cancer activities against MCF-7 breast cancer cells. The study indicated that IC 50 values for MCF-7 cells were 10.96–78.90 µM. Additionally, the complexes [Pt(BPT)(dppe)] ( 1 ), [Pt(BPT)(PPh 3 ) 2 ] ( 5 ), and [Pt(BPT) 2 (Bipy)] ( 7 ) were investigated theoretically, where their quantum parameters were evaluated using the Gaussian 09 program using the theory of B3LYP/Def2TZVP//B3LYP/Lanl2dz. The calculation results confirmed the optimized structures of the complexes square planar geometry. However, the calculated bond lengths and angles showed a slightly distorted square planar geometry due to the trans influence of the sulfur atom. Additionally, complexes of [Pt(BPT)(dppe)] ( 1 ) and [Pt(BPT)(PPh 3 ) 2 ] ( 5 ) showed higher stability compared to [Pt(BPT) 2 (Bipy)] ( 7 ), which can be attributed to the higher back-donation of ( 1 ) and ( 5 ) complexes. Furthermore, among the three complexes, the [Pt(BPT) 2 (Bipy)] ( 7 ) complex possessed the lowest HOMO–LUMO gap, which may be a good candidate as the photo-catalyst material. |
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| Keywords | thiourea ; phosphine ; computational ; DFT ; platinum ; Inorganic chemistry ; QD146-197 |
| Subject code | 290 |
| Language | English |
| Publishing date | 2023-03-01T00:00:00Z |
| Publisher | MDPI AG |
| Document type | Article ; Online |
| Database | BASE - Bielefeld Academic Search Engine (life sciences selection) |
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