The following text (in the “Setting the Stage” section) was modified to better represent the work described: In the seminal work of Taber and co-workers, extended molecular mechanics calculations were shown to be capable of reproducing the sense of diastereoselectivity for several Rh₂(OAc)₄ catalyzed intramolecular C–H insertion reactions.⁷ These computations made use of constrained distances and angles (to represent a weak bond between the proximal Rh and the target C–H) to capture the geometry at the point of commitment to insertion (Figure 1), with the geometry of the Rh₂(OAc)₄ substructure optimized independently with ZINDO.⁸ The agreement between experimentally observed diastereoselectivities and the computational results provided support for the reasonability of those constraints. Later work by Nakamura using density functional theory (DFT) confirmed the importance of the Rh–C–C–H dihedral angle (Figure 2). Doug Taber (University of Delaware) is gratefully acknowledged for bringing this issue to the author’s attention and for his assistance with modifying the text. This article has not yet been cited by other publications.

中文翻译：

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对“四羧酸二铑催化剂促进反应的量子化学询问——机理、选择性和非统计动态效应”的修正


以下文本（在“设置阶段”部分）经过修改，以更好地代表所描述的工作：在泰伯和同事的开创性工作中，扩展的分子力学计算被证明能够重现多种非对映选择性的感觉。 Rh ₂ (OAc) ₄催化分子内C-H插入反应。 ⁷这些计算利用约束距离和角度（代表近端 Rh 和目标 C–H 之间的弱键）来捕获承诺插入点的几何形状（图 1），以及 Rh ₂的几何形状(OAc) ₄子结构与 ZINDO 独立优化。 ⁸实验观察到的非对映选择性与计算结果之间的一致性为这些约束的合理性提供了支持。 Nakamura 后来使用密度泛函理论 (DFT) 的工作证实了 Rh-C-C-H 二面角的重要性（图 2）。感谢 Doug Taber（特拉华大学）提请作者注意这个问题并协助修改文本。这篇文章尚未被其他出版物引用。