Journal of Electroanalytical Chemistry, Vol.602, No.1, 131-137, 2007
In situ FTIR spectroelectrochemistry and spectral simulations using DFT: Efficient complementary tools to elucidate complex electrochemical mechanisms
In situ infrared spectroelectrochemistry has been used to reinvestigate the electrochemical oxidation of N,N-dimethylaniline in acetonitrile. The addition of a proton scavenger having a specific spectroscopic signature, permits to verify the mechanism leading to the formation of the dimer N,N,N',N'-tetramethylbenzidine (TMB). Peaks characteristic of TMB and of its oxidation products have been experimentally identified and verified by using DFT calculations. (c) 2006 Elsevier B.V. All rights reserved.