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Correlation between the redox potentials of 9‐substituted anthracenes and the results of PM3 calculation
Author(s) -
Okazaki Satoshi,
Oyarna Munetaka,
Nomura Satoshi
Publication year - 1997
Publication title -
electroanalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.574
H-Index - 128
eISSN - 1521-4109
pISSN - 1040-0397
DOI - 10.1002/elan.1140091605
Subject(s) - redox , homo/lumo , chemistry , cyclic voltammetry , microelectrode , computational chemistry , electrochemistry , inorganic chemistry , molecule , organic chemistry , electrode
The formal redox potentials of 9‐substituted anthracenes (9XA) were measured by means of a fast scan cyclic voltammetry (FSCV) with a microelectrode. Because the FSCV depresses the influence of subsequent fast reactions, the redox potentials could be measured for a series of substituents in both the oxidation and the reduction processes. The correlation of the redox potentials with the results of molecular orbital calculations were demonstrated, in particular with the PM3 method. The plots of the redox potential versus the energy difference between the redox states gave better correlat on than those versus the energy levels of the HOMO and LUMO.