Electrochemical Screening and DFT Analysis of Acetylacetonate Metal Complexes in Organic Solvents.

Autor: Perez AR; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Amjad R; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Guzman MC; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Constanza C; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Juarez Y; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Miller G; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Cooper C; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States., Arnet NA; Department of Physical and Life Sciences, Nevada State University, Henderson, Nevada 89002-9455, United States.
Jazyk: angličtina
Zdroj: Journal of the Electrochemical Society [J Electrochem Soc] 2024; Vol. 171 (10). Date of Electronic Publication: 2024 Oct 15.
DOI: 10.1149/1945-7111/ad83f9
Abstrakt: Seven acetylacetonate (acac) metal complexes ranging from early transition metals to post-transition metals were examined by cyclic voltammetry in acetonitrile (MeCN), dichloromethane (DCM), tetrahydrofuran (THF), dimethyl sulfoxide (DMSO), and dimethylformamide (DMF). The electronic potential of any observed redox events is reported along with an analysis of the reversibility of those events across a range of scan rates. Group 8 compounds Fe(acac) 3 Ru(acac) 3 showed at least quasi-reversible reductions across all solvents while Ru(acac) 3 also featured a reversible oxidation. The early and post-transition compounds VO(acac) 2 , Ga(acac) 3 and In(acac) 3 exhibited irreversible reductions, while TiO(acac) 2 showed no redox activity within the examined potential ranges. Mn(acac) 3 featured an oxidation that showed solvent-dependent reversibility, and a reduction that was irreversible in all examined solvents. DFT calculations indicated minimal solvent effects on the HOMO-LUMO gap for the majority of compounds, but a significant effect was observed for Ru(acac) 3 . This study serves as a valuable initial step for further examination of acetylacetonate metal complexes for applications as electrochemical internal standards, nanoparticle precursors, and electrocatalysts.
Databáze: MEDLINE