Potential-mediated enol-keto equilibrium in phenol electro-hydrogenation on platinum.

Qing-Yang Liu, Chong-Hui Jiang, Zhen Yao, Yang-Gang Wang

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In one paragraph

Article in Nature communications, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

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1 · What the graph read from it

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3 · Its place in the literature

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1 citing paper in PubMed.

Potential-mediated enol-keto equilibrium in phenol electro-hydrogenation on platinum.Nature communications · 2026
Article

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5 · Who and what money

Authors and funding

4 authors.

Qing-Yang LiuDepartment of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen, China.ORCID http://orcid.org/0009-0003-7489-3788

Chong-Hui JiangDepartment of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen, China.

Zhen YaoDepartment of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen, China. yaoz@sustech.edu.cn.ORCID http://orcid.org/0000-0002-3782-1027

Yang-Gang WangDepartment of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen, China. wangyg@sustech.edu.cn.ORCID http://orcid.org/0000-0002-0582-0855

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The selective formation of cyclohexanone under cathodic potentials during electrocatalytic hydrogenation (ECH) of phenol on transition metal catalysts attracts extensive interest, yet the mechanistic understanding of this potential-dependent product distribution remains limited. By combining ab initio molecular dynamics with explicit solvation and electrode potential control, we demonstrate that cathodic polarization shifts the enol-keto equilibrium toward the keto form through surface-mediated charge transfer, thereby promoting aromatic ring hydrogenation to cyclohexanone. Moreover, the negatively charged surface electrostatically stabilizes cyclohexanone in a metastable "floating" state, which kinetically suppresses its further hydrogenation. This work addresses the question of cyclohexanone selectivity in phenol ECH by identifying potential-controlled tautomerization as the key step affecting selectivity, offering a clear mechanistic basis for the experimentally observed product distribution.

Identifiers

PMID42448692

DOI10.1038/s41467-026-75401-1

PMCPMC13490607

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.