Bueschel, Michael and Stadler, Christian and Lambert, Christoph and Beck, Martin and Daub, Joerg (2000) Heterocyclic quinones as core units for redox switches: UV-vis/NIR, FTIR spectroelectrochemistry and DFT calculations on the vibrational and electronic structure of the radical anions. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 484 (1). pp. 24-32. ISSN 0022-0728
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Spectroscopic and quantum chemical studies on benzodithiophene quinone (2) and benzodifuran quinone (3) and their radical anions are reported. Investigations by UV-vis and FTIR spectroelectrochemistry were undertaken. The electrochemical and spectroscopic properties of the neutral and charged heterocyclic systems are compared with those of anthraquinone (4). On reduction to the radical anions the nu(C=O) stretching frequency of 2 diminishes from 1660 to 1502 cm-(1) and of 3 from 1684 to 1536 cm(-1). Molecular orbital calculations at the density functional (DF) level were carried out. In their electrochemical and optical properties, 2 and 3 are alike functionalized 1,4-benzoquinones. The design of an electrochemical cell for FTIR spectroelectrochemistry with exceptional mechanical stability for experiments under strictly anaerobic conditions is presented. (C) 2000 Elsevier Science S.A. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DENSITY-FUNCTIONAL THEORY; THIN-LAYER; DIFFUSION CONDITIONS; HARTREE-FOCK; STABILIZATION; SYSTEMS; SPECTRA; CELL; quinones; electrochemistry; FTIR spectroelectrochemistry; cell design; density functional calculations |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Organische Chemie > Alumni or Retired Professors > Prof. Dr. Jörg Daub |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 10 May 2022 14:24 |
| Last Modified: | 10 May 2022 14:24 |
| URI: | https://pred.uni-regensburg.de/id/eprint/42587 |
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