Searching for the Hidden Hydrides: The Competition between Alkene Isomerization and Metathesis with Grubbs Catalysts
Searching for the Hidden Hydrides: The Competition between Alkene Isomerization and Metathesis with Grubbs Catalysts
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DOI：
10.1002/ejoc.201201036
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发表时间：
2012-10-01
影响因子：
2.8
通讯作者：
Vincent, Mark A.
中科院分区：
文献类型：
--
作者：
Ashworth, Ian W.;Hillier, Ian H.;Vincent, Mark A.
尽管格拉布斯歧化催化剂已经使一系列分子的合成成为可能，但人们对烯烃异构化这一已知且有问题的副反应知之甚少。用电子结构计算研究了异构化反应的几种机理。由氢化钌催化的这一途径以显著的优势成为最简单的过程。第一次，我们获得了该物种存在于复分解活性系统中的实验证据。
Although Grubbs metathesis catalysts have enabled syntheses of a range of molecules, alkene isomerization, a known and problematic side reaction, is poorly understood. Several mechanisms which have been advanced to account for isomerization were studied by using electronic structure calculations. The pathway catalyzed by a ruthenium hydride emerged as the most facile process by a significant margin. For the first time, we have obtained experimental evidence for the presence of this species in a metathesis-active system.