Resonance Raman (RR) and absorption spectra and cyclic voltammograms were measured for 1,4-benzoquinone (BQ) and its anion radical in various solvents. The absorption maxima of around 440 and 320 nm (BQ-~) B QαΊ½xhibit a good linear correlation both with acceptor numbers (AN) of solvents and the stand
β¦ LIBER β¦
Solvent effects on the redox potentials of benzoquinone
β Scribed by J.H. Wilford; M.D. Archer
- Publisher
- Elsevier Science
- Year
- 1985
- Weight
- 273 KB
- Volume
- 190
- Category
- Article
- ISSN
- 0022-0728
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In this article we propose a mean field theory that permits the calculation of solvent effects in a direct way by combining quantum mechanics and molecular dynamics simulations. Because of the reduced number of necessary quantum calculations, it is possible to get the same level of theory used for m