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IR spectroelectrochemistry as efficient technique for elucidation of reduction mechanism of chlorine substituted 1,10-phenanthrolines
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SYSNO ASEP 0522241 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title IR spectroelectrochemistry as efficient technique for elucidation of reduction mechanism of chlorine substituted 1,10-phenanthrolines Author(s) Wantulok, J. (PL)
Degano, I. (IT)
Gál, M. (SK)
Nycz, J. E. (PL)
Sokolová, Romana (UFCH-W) RID, ORCID, SAIArticle number 113888 Source Title Journal of Electroanalytical Chemistry. - : Elsevier - ISSN 1572-6657
Roč. 859, FEB 2020 (2020)Number of pages 10 s. Language eng - English Country CH - Switzerland Keywords 1,10-Phenanthroline ; Chromatography ; IR spectroelectrochemistry ; Reduction mechanism ; UV–Vis spectroelectrochemistry Subject RIV CG - Electrochemistry OECD category Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) R&D Projects GA19-03160S GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UFCH-W - RVO:61388955 UT WOS 000521509300036 EID SCOPUS 85078398228 DOI 10.1016/j.jelechem.2020.113888 Annotation The electrochemical behaviour of 4,7-dichloro-1,10-phenanthrolines was studied in non-aqueous solution using cyclic voltammetry, controlled potential electrolysis, in-situ UV–Vis and IR spectroelectrochemistry, and HPLC-DAD (HPLC with diode array detector) and HPLC-MS/MS techniques. The substitution of phenanthrolines at position C2 and C5 with methyl groups, chlorine and/or fluorine atoms influences the redox properties and the potential gap between the oxidation and reduction potentials. Reduction leads to the formation of a radical anion and the subsequent cleavage of halide from the molecule. Compounds containing also chlorine or fluorine atoms at position C5 were found to be the most easily reduced. The oxidation of 4,7-dichloro-1,10-phenanthrolines proceeds primarily on the conjugated aromatic rings of phenanthroline forming a short living radical cation at the first oxidation wave and a dication at the second oxidation wave. The changes of the absorption spectra during IR spectroelectrochemistry suggested the formation of an unstable species, whose dimeric structure was hypothesized. Frontier molecular orbitals calculations and theoretical calculations of IR spectra support the findings. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2021 Electronic address http://hdl.handle.net/11104/0306764
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