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Electrochemical and DFT-studies of substituted thiophenes |
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| Authors: | Mohammed Al-Anber Wasim Alhalasah Rudolf Holze |
| Affiliation: | a Mu’tah University, Department of Chemical Science, Faculty of Sciences, Al-Karak, Jordan b Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Chemie, Lehrstuhl für Anorganische Chemie, 09107 Chemnitz, Germany c Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Chemie, AG Elektrochemie, 09107 Chemnitz, Germany |
| Abstract: | UV-vis absorption spectra and cyclic voltammograms of a selection of substituted thiophenes and their oligomers carrying trifluoracetyl acetone functional groups have been obtained. A comparison with calculated values of HOMO-LUMO energies (the former corresponding to the ionization potentials Ei) shows strong correlations between calculated and experimentally obtained data; they are in close agreement with estimates in terms of electron-donating and -withdrawing effects from an empirical point of view. |
| Keywords: | Thiophenes β-Diketones UV-vis spectroscopy Cyclic voltammetry DFT calculations Oxidation potentials |
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