0000000001310215

AUTHOR

Kolle E. Thomas

showing 2 related works from this author

Gold dipyrrin-bisphenolates: A combined experimental and DFT study of metal-ligand interactions

2020

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 …

MetalAbsorption spectroscopyComputational chemistryChemistryLigandGeneral Chemical Engineeringvisual_artChemical Sciencesvisual_art.visual_art_mediumGeneral ChemistryVDP::Matematikk og Naturvitenskap: 400ElectrochemistryVDP::Mathematics and natural science: 400
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CCDC 1964008: Experimental Crystal Structure Determination

2020

Related Article: Kolle E. Thomas, Nicolas Desbois, Jeanet Conradie, Simon J. Teat, Claude P. Gros, Abhik Ghosh|2020|RSC Advances|10|533|doi:10.1039/C9RA09228E

Space GroupCrystallographyCrystal SystemCrystal Structure(2-[5-({5-[2-oxidophenyl]-2H-pyrrol-2-ylidene}[4-(trifluoromethyl)phenyl]methyl)-1H-pyrrol-2-yl]phenolato)-gold(iii)Cell ParametersExperimental 3D Coordinates
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