Impact of Ligand Substitutions on Multielectron Redox Properties of Fe Complexes Supported by Nitrogenous Chelates.

ABSTRACT: Redox flow batteries (RFBs) have recently been recognized as a potentially viable technology for scalable energy storage. To take full advantage of RFBs, one possible approach for achieving high energy densities is to maximize a number of redox events by utilizing charge carriers capable of multiple one-electron transfers within the electrochemical window of solvent. However, past efforts to develop more efficient electrolytes for nonaqueous RFBs have mostly been empirical. In this manuscript, we shed light on design principles by theoretically investigating the effects of systematically substituting pyridyl moieties with imine ligands within a series of Fe complexes with some experimental validation. We found that such replacement is an effective strategy for reducing the molecular weight

SUBMITTER: Popov IA 

PROVIDER: S-EPMC6643937 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature