0000000001287300
AUTHOR
Kolle E. Thomas
Gold dipyrrin-bisphenolates: A combined experimental and DFT study of metal-ligand interactions
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 …
CCDC 1964008: Experimental Crystal Structure Determination
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