6533b873fe1ef96bd12d4d65
RESEARCH PRODUCT
Gold dipyrrin-bisphenolates: A combined experimental and DFT study of metal-ligand interactions
Claude P. GrosNicolas DesboisAbhik GhoshKolle E. ThomasJeanet ConradieSimon J. Teatsubject
MetalAbsorption spectroscopyComputational chemistryChemistryLigandGeneral Chemical Engineeringvisual_artChemical Sciencesvisual_art.visual_art_mediumGeneral ChemistryVDP::Matematikk og Naturvitenskap: 400ElectrochemistryVDP::Mathematics and natural science: 400description
Given that noninnocent and metalloradical-type electronic structures are ubiquitous among dipyrrin-bisphenolate (DPP) complexes, we synthesized the gold(III) derivatives as potentially innocent paradigms against which the properties of other metallo-DPP derivatives can be evaluated. Electronic absorption spectra, electrochemical studies, a single-crystal X-ray structure, and DFT calculations all suggest that the ground states of the new complexes indeed correspond to an innocent AuIII–DPP3−, paralleling a similar description noted for Au corroles. Interestingly, while DFT calculations indicate purely ligand-centered oxidations, reduction of AuDPP is predicted to occur across both the metal and the ligand.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-01-01 |