Large variability and complexity of isothermal solubility for a series of redox-active phenothiazines

Abstract

The development of redox-active molecules (ROM) with large solubilities in all states of charge in organic electrolytes is imperative to the continued development of non-aqueous redox flow batteries. The capability...

ExpFlow: a graphical user interface for automated reproducible electrochemistry

“…Similar results were observed for MEEPT, another well studied redox-active system known for its high stability and solubility. 68–70 The measured half-wave redox potential for MEEPT is 0.396 V vs. Ag/Ag + , which is comparable with the potential (0.41 V vs. Ag/Ag + ) 71 reported for N -methylphenothiazine. Since there are no literature-reported oxidation potentials for MEEPT vs. Ag/Ag + , the potential is estimated relative to Fc/Fc + using the potential gathered for Fc in the robotic experiments as the standard.…”

Towards a comprehensive data infrastructure for redox-active organic molecules targeting non-aqueous redox flow batteries

“…Molecules in the D 3 TaLES database are collected from those appearing in the NARFB literature, 23,43,44 scraped from the Cambridge Structural Database (CSD) 45 and ZINC 46 datasets (Fig. S4 and S5 †), and combinatorically generated from fragments of molecules commonly used in NARFB; see ESI Section 3 † for more details.…”

“…Additionally, elucidating structure–property relationships for properties such as solubility in nonaqueous environments for NARFB can be much more challenging than in aqueous environments. 23 Thus, in the field of NARFB, the metanalyses necessary to elucidate structure–property relationships are often prohibited by the lack of large-scale, broad, accessible, and uniform data.…”

A comprehensive data infrastructure for redox-active organic molecules towards non-aqueous redox flow batteries

“…22 Elucidating structure-property relationships for properties such as solubility in nonaqueous environments for NARFB can be much more challenging than in aqueous environments. 23 Additionally, the few studies that examine systems for NARFB are smaller scale and (like those in the field of aqueous RFB) often focus on quinone-based systems alone. Thus, in the field of NARFB, the metanalyses necessary to elucidate structure-property relationships are often prohibited by the lack of large-scale, broad, accessible, and uniform data.…”

“…Molecules in the D 3 TaLES database are collected from those appearing in the NARFB literature, 23,34,35 scraped from the Cambridge Structural Database (CSD) 36 and ZINC 37 datasets (Figures S4-5), and…”