2023
DOI: 10.26434/chemrxiv-2023-mxhgx
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Quantifying the Influence of C-H···pi Interactions on Non-Aqueous Electrolyte Solubility

Abstract: For redox active organic molecules (ROMs) used in grid-scale energy storage applications, such as redox flow batteries, solubility is an essential physicochemical property. Specifically, solubility is directly proportional to the volumetric energy density of an energy storage device and thus affects its corresponding spatial footprint. Recently pyridiniums have been introduced as a class of ROMs with high persistence in multiple redox states at low potentials. Unfortunately, solubility of pyridinium salts in n… Show more

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Cited by 2 publications
(2 citation statements)
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“…Plotting N-terminal labelling vs. side-chain polarizability parameters (a) indicated a positive correlation between side-chain polarizability in 1g, but no correlation with 3 (see SI Figure S8). This observation suggests that 1g can overcome steric clashes through engagement of the amino-acid side-chain with 1g's electron-deficient quinolinium leaving group in stabilizing interactions driven by dispersion forces [9,20] . This effect is likely amplified by the hydrophobic effect as well, but only very loose correlations are observed between Nterminal labelling outcomes and amino acid side-chain hydrophobicity parameters (see SI Figure S8E,F).…”
Section: Resultsmentioning
confidence: 98%
“…Plotting N-terminal labelling vs. side-chain polarizability parameters (a) indicated a positive correlation between side-chain polarizability in 1g, but no correlation with 3 (see SI Figure S8). This observation suggests that 1g can overcome steric clashes through engagement of the amino-acid side-chain with 1g's electron-deficient quinolinium leaving group in stabilizing interactions driven by dispersion forces [9,20] . This effect is likely amplified by the hydrophobic effect as well, but only very loose correlations are observed between Nterminal labelling outcomes and amino acid side-chain hydrophobicity parameters (see SI Figure S8E,F).…”
Section: Resultsmentioning
confidence: 98%
“…The work provides a new bridge linking molecular structure to their consequential physical properties. 168,169 Redox Potential. Electron withdrawing groups in organic RASs, which reduce electron density in a molecule through the carbon atom, were generally recognized to increase the redox potential, whereas electron donating groups have the opposite effect.…”
mentioning
confidence: 99%