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Electrochemical studies and semiempirical calculations on π-conjugated dienones and heterocyclic nitrogen containing donor ligand molecules

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Abstract

Reduction potentials for the first electron transfer to a broad selection of nitrogen containing bi- and polydentate molecules considered as potential ligands have been determined. Results are compared with data obtained with semiempirical and UV-Vis spectroscopic data. Close correlations for the investigated molecules are observed. Systematic differences in properties of molecules with and without the keto moiety can be explained by invoking molecular orbital and surface interaction arguments. Similar structural arguments can be used to explain the behaviour of 2,4,6-tripyridin-2–yl[1,3,5]triazine. UV-Vis data match closely those derived from HOMO-LUMO calculations for these molecules.

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Notes

  1. PTFE polytetrafluoroethylene

  2. The value depended slightly on the added alkali hydroxide

  3. In addition, it has been observed in attempts to reproduce the reference electrode potentials, that a concentration of 3 M NaCl in DMF is not at all attainable

  4. Regarding the reproducibility of the reference electrode see the preceding footnote

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Acknowledgments

Financial support from the Fonds der Chemischen Industrie and the Deutsche Forschungsgemeinschaft (Gaduiertenkolleg GRK 829/1) is gratefully acknowledged, in addition a grant to one of us (S.Vatsadze) from RFBR (#03-03-32401) is appreciated.

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Authors and Affiliations

  1. Chemistry Department, M. V. Lomonosov Moscow State University, Leninskie Gory, Moscow, 119992, Russia

    S. Vatsadze

  2. Department of Chemical Science, Faculty of Sciences, Mu’tah University, Al-Karak, Jordan

    M. Al-Anber

  3. Fakultät für Naturwissenschaften, Institut für Chemie, Technische Universität Chemnitz, Straße der Nationen 62, 09111, Chemnitz, Germany

    W. R. Thiel, H. Lang & R. Holze

  4. Fachbereich Chemie der Universität Kaiserslautern, Gebäude 54, Erwin-Schrödinger Strasse, 67663 , Kaiserslautern, Germany

    W. R. Thiel

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  1. S. Vatsadze
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  2. M. Al-Anber
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  3. W. R. Thiel
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  4. H. Lang
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  5. R. Holze
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Correspondence to R. Holze.

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Presented at the 3rd Chianti Electrochemistry Meeting, July 3.–9., 2004, Certosa di Pontignano, Italy

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Vatsadze, S., Al-Anber, M., Thiel, W.R. et al. Electrochemical studies and semiempirical calculations on π-conjugated dienones and heterocyclic nitrogen containing donor ligand molecules. J Solid State Electrochem 9, 764–777 (2005). https://doi.org/10.1007/s10008-005-0676-4

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  • DOI: https://doi.org/10.1007/s10008-005-0676-4

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