Abstract
In this research electrochemical oxidation of 4-MA in the presence of triphenylphosphine, 1,2-dimethylindole and benzoylacetonitrile were studied both experimentally and theoretically. Cyclic voltammetry and controlled-potential coulometry were used to obtain the experimental results, and the theoretical results were calculated at DFT (B3LYP) level of theory and 6–311+G (p,d) basis set. In the electrochemical oxidation process 4-MA oxidized to its correspond p-quinonediimine (1ox+), and electrochemically generated 1ox+ reacts with nucleophiles. Using voltammetric and coulometric data, it was found that oxidation mechanism of 4-MA in the presence of triphenylphosphine, benzoylacetonitrile and 1,2-dimethyleindole are EC, ECEC and ECECE respectively. ΔGtot of 4-MA and its substituted species were calculated, and results indicate that ΔGtot determines direction of reactions.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
