What question did this study set out to answer?

This study aims to understand the mechanisms behind ruthenium-catalyzed C–H alkenylation of quinones.

February 21, 2026ChemistryOpen0 citationsOpen Access

Front Cover: Ruthenium‐Catalyzed CH Alkenylation of Trypanocidal Naphthoquinones: A Mechanistic Benchmarking Study (ChemistryOpen 2/2026)

EPEsther R. S. PazUniversidade Federal de Minas Gerais CSCauê Souza JOJoyce C. OliveiraUniversidade Federal de Minas Gerais

Key Points

This study aims to understand the mechanisms behind ruthenium-catalyzed C–H alkenylation of quinones.
Conducted a computational analysis using density functional theory.
Benchmarking against DLPNO-CCSD(T) for accurate mechanistic insights.
Explored the alkenylation of menadione with ethenesulfonyl fluoride.
Established a robust mechanistic understanding of the catalytic process.
Identified pathways for SuFEx functionalization of quinones.
Supported the design of new naphthoquinone derivatives to target Trypanosoma cruzi.

Abstract

The Front Cover image highlights a computational study of the Ru(II)-catalyzed C–H alkenylation of menadione with ethenesulfonyl fluoride, enabling SuFEx functionalization of quinones. Density functional benchmarking against DLPNO-CCSD(T) establishes a robust mechanistic picture and supports the rational design of naphthoquinone derivatives targeting Trypanosoma cruzi. More details are available in the Research Article by Felipe Fantuzzi and co-workers (DOI: 10.1002/open.202500465).

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Cite This Study

Paz et al. (Sun,) studied this question.

synapsesocial.com/papers/69994aab873532290d01f0ca https://doi.org/https://doi.org/10.1002/open.70155

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