Do we fully understand what controls chemical selectivity?
Do we fully understand what controls chemical selectivity?
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DOI：
10.1039/c1cp22565k
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发表时间：
2011-01-01
影响因子：
3.3
通讯作者：
Carpenter, Barry K.
中科院分区：
文献类型：
--
作者：
Rehbein, Julia;Carpenter, Barry K.
动力学控制反应的反应速率和产物选择性并不总是由标准RRKM或TST理论充分描述。发生在具有谷脊拐点的势能面上的反应属于这类反应。虽然各种研究小组可以表明，反应路径分叉在有机反应中远非例外，但支配这些分叉反应路径的产物分布的基本原理尚未完全理解。这个视角的目的是提供一个我们的理解和理论基础的发展已经取得了多大进展的概述。
Reaction rates and product selectivity of kinetically controlled reactions are not always sufficiently described by standard RRKM or TST theory. Reactions taking place on potential energy surfaces featuring a valley ridge inflection point belong to this class of reactions. Though various research groups could show that reaction path bifurcations are far from being an exception in organic reactions the underlying principles that govern product distributions of those bifurcating reaction pathways are yet not fully understood. This Perspective has the intention to provide an overview of how far our understanding and the development of the theoretical foundation have progressed.