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    "resource_id": "10.1021/acs.inorgchem.6c00358",
    "resource_doi": "10.1021/acs.inorgchem.6c00358",
    "resource_title": "Influence\nof the Conjugated Structure of Redox Ligands\non the PCET Process in Water Oxidation Reactions",
    "resource_link": "https://doi.org/10.1021/acs.inorgchem.6c00358",
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    "description": "To\nsolve the high overpotential and low catalytic efficiency\nbottlenecks\nin the oxygen evolution reaction (OER), this work focuses on the precise\nregulation of redox-active ligand conjugation on proton-coupled electron\ntransfer (PCET). We propose a strategy to optimize catalyst performance\nby tuning the ligand conjugation scope and degree. Using parent ligand\nL<sub>1</sub> as a scaffold, ligands L<sub>2</sub> and L<sub>3</sub> with extended conjugation were designed and synthesized, yielding\nruthenium(III) hydroxylated complexes [(L<sub>2</sub><sup>N5\u2011</sup>)-Ru<sup>III</sup>\u2013OH]<sup>+</sup> and [(L<sub>3</sub><sup>N5\u2011</sup>)-Ru<sup>III</sup>\u2013OH]<sup>+</sup>, fully\ncharacterized by <sup>1</sup>H NMR, ESI-HRMS, and XRD. Electrochemical\nmeasurements show that extended conjugation significantly lowers oxidation\npotentials. The OER overpotentials decrease to 93 and 100 mV from\n183 mV of the L<sub>1</sub> complex, with catalytic rates reaching\n7.75 and 4.95 s<sup>\u20131</sup>, far higher than 1.26 s<sup>\u20131</sup>. DFT and kinetic studies reveal that oxidation potential differences\nstem from the SOMO energies of Ru<sup>4+</sup> intermediates. Base-assisted\nwater nucleophilic attack is the rate-determining step, with energy\nbarriers reduced to 17.6 and 16.7 kcal/mol for L<sub>2</sub>/L<sub>3</sub> systems, much lower than the 26.4 kcal/mol for L<sub>1</sub>. This study establishes the conjugation-PCET-activity relationship,\noffering a theoretical guide for designing low overpotential, high-performance\nOER catalysts.",
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      "https://doi.org/10.1021/acs.inorgchem.6c00358"
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      {
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        "full_name": "Lulu Zhang",
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    "citation": "Zhang, Lulu; Liu, Jing; Zheng, Luyao; Liao, Rong-Zhen; Li, Ying-Ying; Shi, Jing (2026). Influence\nof the Conjugated Structure of Redox Ligands\non the PCET Process in Water Oxidation Reactions. ACS Publications. Collection. https://doi.org/10.1021/acs.inorgchem.6c00358",
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