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    • Accessing Metal-Specific Orbital Interactions in C–H Activation with Resonant Inelastic X-ray Scattering

    Chemical Science（2024）SCI 1区SCI 2区

    Uppsala Univ | Univ Hamburg | Stockholm Univ | Paul Scherrer Inst | European XFEL GmbH

    Cited 0|Views10
    Abstract
    We propose, using simulated RIXS signatures, a way of spectroscopically accessing the “two-way” charge transfer interactions between the C–H bond and the metal during C–H activation, thereby verifying and motivating orbital correlation diagrams.
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    Key words
    C–H Activation,Transition Metal Catalysis,Directed C–H Functionalization,Resonant Inelastic Scattering,Metal-Catalyzed Reactions
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    【要点】：本文提出了一种利用共振非弹性X射线散射（RIXS）技术来研究C-H键活化和金属之间“双向”电荷转移相互作用的方法，为验证和推动轨道相关图提供了证据。
    

    【方法】：通过模拟RIXS特征，研究C-H键与金属在C-H活化过程中的轨道相互作用。
    

    【实验】：使用共振非弹性X射线散射技术进行模拟实验，具体数据集名称未提及，但实验结果有助于理解C-H键活化的电荷转移机制。
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