Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines

Mateyise, Nandisiwe G. S.; Conradie, Marrigje M.; Conradie, Jeanet

doi:10.3390/molecules29215078

Open AccessArticle

Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines

by

Nandisiwe G. S. Mateyise

¹

,

Marrigje M. Conradie

^1,*

and

Jeanet Conradie

^1,2,*

¹

Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein 9300, South Africa

²

Department of Chemistry, UiT—The Arctic University of Norway, N-9037 Tromsø, Norway

^*

Authors to whom correspondence should be addressed.

Molecules 2024, 29(21), 5078; https://doi.org/10.3390/molecules29215078

Submission received: 30 September 2024 / Revised: 22 October 2024 / Accepted: 24 October 2024 / Published: 27 October 2024

(This article belongs to the Special Issue Recent Advance in Transition Metal Complexes and Their Applications II)

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Abstract

In coordination chemistry, 2,2′:6′,2″-terpyridine is a versatile and extensively studied tridentate ligand. Terpyridine forms stable complexes with a variety of metal ions through coordination sites provided by the three nitrogen atoms in its pyridine rings. This paper presents an electrochemical study on various bis(terpyridine)osmium(II) complexes, addressing the absence of a systematic investigation into their redox behavior. Additionally, a computational chemistry analysis was conducted on these complexes, as well as on eight previously studied osmium(II)-bipyridine and -phenanthroline complexes, to expand both the experimental and theoretical understanding. The experimental redox potentials, Hammett constants, and DFT-calculated energies show linear correlations due to the electron-donating or electron-withdrawing nature of the substituents, as described by the Hammett constants. These substituent effects cause shifts to lower or higher redox potentials, respectively.

Keywords: osmium(II); redox potential; electrochemistry; DFT; terpyridine

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MDPI and ACS Style

Mateyise, N.G.S.; Conradie, M.M.; Conradie, J. Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines. Molecules 2024, 29, 5078. https://doi.org/10.3390/molecules29215078

AMA Style

Mateyise NGS, Conradie MM, Conradie J. Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines. Molecules. 2024; 29(21):5078. https://doi.org/10.3390/molecules29215078

Chicago/Turabian Style

Mateyise, Nandisiwe G. S., Marrigje M. Conradie, and Jeanet Conradie. 2024. "Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines" Molecules 29, no. 21: 5078. https://doi.org/10.3390/molecules29215078

APA Style

Mateyise, N. G. S., Conradie, M. M., & Conradie, J. (2024). Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines. Molecules, 29(21), 5078. https://doi.org/10.3390/molecules29215078

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Synthesis, Electrochemistry and Density Functional Theory of Osmium(II) Containing Different 2,2′:6′,2″-Terpyridines

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