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Heteroleptic Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes: Structural Characterization, Computational
Abdollah Neshat1, Atiyeh Mahdavi2, Mohammad Reza Yousefshahi1
1Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), 444 Prof. Sobouti Blvd., Gava Zang, Zanjan 45137-66731, Iran.
New silver and gold complexes with sulfur ligands were synthesized and characterized. These metal complexes show potential anticancer and antibacterial activities, warranting further investigation for therapeutic applications.
Area of Science:
- Coordination chemistry and inorganic synthesis.
- Computational chemistry and electronic structure analysis.
- Medicinal inorganic chemistry and biological evaluation.
Background:
- N-heterocyclic carbene (NHC) metal complexes are of interest due to their diverse applications.
- Sulfur-donor ligands, such as dialkyldithiophosphates and bis(2-mercapto-1-methylimidazolyl)borates, can modulate the properties of metal complexes.
- Understanding the electronic structure is crucial for predicting and optimizing biological activity.
Purpose of the Study:
- To synthesize and characterize novel heteroleptic mononuclear silver(I) and gold(I) complexes.
- To investigate the electronic properties and structural features of the synthesized metal complexes.
- To evaluate the biological activities, including anticancer, antibacterial, antityrosinase, and hemolytic effects.
Main Methods:
- Synthesis of (NHC)M-Cl complexes (M = Ag, Au) with sulfur-donor ligands.
- Single-crystal X-ray diffraction for structural determination.
- Time-dependent density-functional theory (TD-DFT) and hole-electron analysis for electronic properties.
- In vitro biological assays against MCF-7 cancer cells, Gram-positive and Gram-negative bacteria.
Main Results:
- A series of heteroleptic mononuclear silver(I) and gold(I) complexes were successfully synthesized.
- Ag(I) complexes exhibited trigonal planar geometry, while Au(I) complexes showed near-linear geometry.
- Electronic structure analysis provided insights into the electronic features of the complexes.
- Preliminary biological screening indicated potential anticancer and antibacterial activities for selected complexes.
Conclusions:
- The synthesized NHC-metal complexes possess distinct structural and electronic properties.
- Selected complexes demonstrate promising in vitro anticancer and antibacterial activities.
- Further research is warranted to explore the therapeutic potential of these novel metal complexes.
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