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Abstract Mechanistic aspects of reactions between β-trifluoromethylated nitroethenes and cyclopentadiene has been examined using DFT computational methods It was found, that all considered processes have a polar nature. This polar… Click to show full abstract
Abstract Mechanistic aspects of reactions between β-trifluoromethylated nitroethenes and cyclopentadiene has been examined using DFT computational methods It was found, that all considered processes have a polar nature. This polar character is given by the electrophilic character of β-trifluoromethylated nitroethenes (ω = 3.0-3.7 eV) and nucleophilic character of Cp (N = 3.36 eV). Additionally, molecular mechanism of considered reactions is substantially different from the DA reactions between Cp and simple alkenes.
Journal Title: Journal of Fluorine Chemistry
Year Published: 2018
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