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Electrochemical reduction of carbon-fluorine bond in 4-fluorobenzonitrile - Mechanistic analysis employing Marcus-Hush quadratic activation-driving force relation
Date Issued
04-10-2007
Author(s)
Muthukrishnan, A.
Indian Institute of Technology, Madras
Abstract
The reduction of carbon-fluorine bond in 4-fluorobenzonitrile in acetonitrile as the solvent, is analyzed using convolution potential sweep voltammetry and the dependence of the transfer coefficient on potential is investigated within the framework of Marcus-Hush quadratic activation-driving force theory. The validity of stepwise mechanism is inferred from solvent reorganization energy estimates as well as bond length calculations using B3LYP/6-31g(d) method. A novel method of estimating the standard reduction potential of the 4-fluorobenzonitrile in acetonitrile is proposed. © 2007 Elsevier B.V. All rights reserved.
Volume
446