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

ABSTRACT: 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 Au^III-DPP^3-, 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.

SUBMITTER: Thomas KE 

PROVIDER: S-EPMC9047278 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature