Undirected Ruthenium-Catalyzed C−H Activations Using Arylsulfonium Salts: Direct Arylations without Ruthenacycle Intermediates by Computation and Data Science

Jinbin Zhu; Binbin Yuan; Xuexue Chang; Hasret Can Gülen; Prof. Dr. Lutz Ackermann

doi:10.1039/d5sc08962j

January 1, 2026Chemical ScienceOpen Access

Undirected Ruthenium-Catalyzed C−H Activations Using Arylsulfonium Salts: Direct Arylations without Ruthenacycle Intermediates by Computation and Data Science

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Key Points

The aim is to understand ruthenium-catalyzed C−H activations for direct arylation without ruthenacycle intermediates.
Utilized computational methods to analyze C−H activation processes.
Investigated the role of arylsulfonium salts in reactions.
Compared results against traditional ruthenacycle pathways.
Identified successful direct arylation pathways using arylsulfonium salts.
Showed that ruthenacycle intermediates are unnecessary in some conditions.
Demonstrated enhanced efficiency in reactions with computational support.

Implication

Computational analysis reveals direct arylations in molecular sciences without ruthenacycle intermediates.

Abstract

Ruthenium-catalyzed C−H activations have surfaced as a transformative platform for molecular sciences. Despite of major progress, all ruthenium-catalyzed arylations require the formation of a ruthenacycle. In sharp contrast, we herein...

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Cite This Study

Zhu et al. (2026) studied this question.

synapsesocial.com/papers/6975b2eafeba4585c2d6e5ec https://doi.org/10.1039/d5sc08962j

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Undirected Ruthenium-Catalyzed C−H Activations Using Arylsulfonium Salts: Direct Arylations without Ruthenacycle Intermediates by Computation and Data Science

Key Points

Implication

Abstract

Discussion

Cite This Study

Undirected Ruthenium-Catalyzed C−H Activations Using Arylsulfonium Salts: Direct Arylations without Ruthenacycle Intermediates by Computation and Data Science

Key Points

Implication

Abstract

Discussion

Cite This Study

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