Abstract
AbstractTheoretical Pourbaix diagrams (PDs) were obtained for lawsone and five different polyfunctional derivatives, including electron withdrawing and electron donating groups. Systematic theoretical studies were performed to determine a feasible isomerization mechanism of lawsone. A discussion of the effect of the substituents on the PDs and the possibility of their application as electrolytes in aqueous redox flow batteries is provided. Finally, the synthesis of the five studied derivatives is presented in the appendix.
Published Version
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