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Electron affinity and redox potential of tetrafluoro- p -benzoquinone: A theoretical study

Namazian, Mansoor; Siahrostami, Samira; Coote, Michelle


The electron affinity of tetrafluoro-p-benzoquinone (2.69 eV) and the mono- (2.10 eV), 2,3-di- (2.29 eV), 2,5-di- (2.28 eV), 2,6-di- (2.31 eV) and tri- (2.48 eV) fluoro derivatives of p-benzoquinone have been calculated via standard ab initio molecular orbital theory at the G3(MP2)-RAD level of theory. Comparison of calculated electron affinities with the available experimental values shows excellent agreement between theory and experiment. The reduction potential of tetrafluoro-p-benzoquinone...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
Source: Journal of Fluorine Chemistry
DOI: 10.1016/j.jfluchem.2007.11.007


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