作者: Melvin Keith Carter
DOI: 10.1016/J.MOLSTRUC.2006.07.020
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摘要: Abstract Cyclic voltammogram (CV) electrochemical measurements for pyrocatechol, resorcinol, hydroquinone, pyrogallol, and gallic acid in strong alkaline solution produced observable oxidation–reduction potentials each hydroxy group present except resorcinol. UV absorption spectra were also observed the diluted solutions. Semi-empirical molecular orbital computations conducted these molecules of C 2 v point symmetry to determine character energies aid interpretation experimental results. CV oxidation removed a π-electron by radiationless π–π* transition followed an electron shift from negative oxygen positive aromatic π-system indicated σ–π* transition. Simple semi-empirical correlated with measured excited electronic states during transfer.