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May 4, 2026

Decoupling Thermodynamic and Kinetic Controls in Methane Activation on High-Spin Rhenium Centers: The Interplay of Electronic Accumulation and Relativistic Spin-Orbit Coupling.

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Authors

YFYuewen FengCQChao QianXCXinzhi Chen

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Overview

Randomized trial reveals the interplay of electronic accumulation and spin-orbit coupling in methane activation.

Key Points

  • The aim is to understand how thermodynamic and kinetic factors control methane activation on high-spin rhenium centers.
  • Analyzed the effects of electronic accumulation and relativistic spin-orbit coupling on reactivity.
  • Investigated the role of neutral ligands and their impact on reaction mechanisms.
  • Provided insights for designing condensed-phase catalysts using surface hydroxyl engineering.
  • Demonstrated that traditional views on neutral ligands reducing reactivity were incorrect.
  • Offered new quantitative electronic descriptors for catalyst design.

Cite This Study

Feng et al. (2026) studied this question.

synapsesocial.com/papers/69f837f53ed186a7399822dahttps://doi.org/10.1021/acs.jpclett.6c00453
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