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

Permanent link
https://hdl.handle.net/10037/17247
DOI
https://doi.org/10.1039/c9ra09228e
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Date
2020-01-02
Type
Journal article
Tidsskriftartikkel
Peer reviewed

Author
Thomas, Kolle E; Desbois, Nicolas; Conradie, Jeanet; Teat, Simon J.; Gros, Claude P; Ghosh, Abhik
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 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.
Publisher
Royal Society of Chemistry
Citation
Thomas KE, Desbois, Conradie J, Teat SJ, Gros, Ghosh A. Gold dipyrrin-bisphenolates: A combined experimental and DFT study of metal-ligand interactions. RSC Advances. 2019;10(1):533-540
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