AI Article Synopsis
- A new series of cyclometalated platinum(IV) NHC complexes were discovered by reacting platinum(II) complexes with various halides and ligands.
- The compounds underwent characterization using techniques like NMR and elemental analysis, with three complexes giving solid-state structures.
- Density Functional Theory (DFT) calculations were conducted to understand the oxidation mechanism and to clarify why specific products were formed.
Article Abstract
We present a previously unknown series of cyclometalated platinum(IV) NHC complexes, obtained by oxidative addition of iodine, iodomethane, and different benzyl bromides to platinum(II) complexes with cyclometalated C^C* dibenzofuran, dibenzothiophene, and phenylimidazole ligands together with an acetylacetonate ligand. All compounds were characterized by standard techniques (H, C, and Pt NMR and elemental analysis), and for three complexes, solid-state structures could be obtained. DFT calculations (B3LYP(d3)/def2-TZVPP including dispersion interactions in dichloromethane and acetone) were performed to investigate the mechanism of the oxidation and explain the exclusive formation of the observed products.
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| http://dx.doi.org/10.1021/acs.inorgchem.4c01608 | DOI Listing |
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