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<p>The energy balance of an elementary step in a chemical transformation is fundamental to our understanding of reaction pathways. Here we evaluate the enthalpic coupling between bond cleavage and bond formation in diverse elementary steps in organic chemistry. To illustrate the relationship between specific bond-altering events, we use enthalpic maps. This analysis compares mechanistically distinct reactions and offers a framework for modifying the existing elementary steps with the objective of reaction discovery.</p><p></p>

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Chemical reactivity from the perspective of enthalpic coupling

  • 期刊论文

  • 发表日期：

    2026年3月12日

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  • Chelsey Brien,
  • Andrei K. Yudin

摘要

The energy balance of an elementary step in a chemical transformation is fundamental to our understanding of reaction pathways. Here we evaluate the enthalpic coupling between bond cleavage and bond formation in diverse elementary steps in organic chemistry. To illustrate the relationship between specific bond-altering events, we use enthalpic maps. This analysis compares mechanistically distinct reactions and offers a framework for modifying the existing elementary steps with the objective of reaction discovery.