Quantifying and understanding the steric properties of N-heterocyclic carbenes
Quantifying and understanding the steric properties of N-heterocyclic carbenes
复制标题
DOI：
10.1039/c7cc00255f
复制
发表时间：
2017-03-04
影响因子：
4.9
通讯作者：
Nolan, Steven P.
中科院分区：
文献类型：
--
作者：
Gomez-Suarez, Adrian;Nelson, David J.;Nolan, Steven P.
这篇专题文章介绍并讨论了使用不同的方法来量化和探索N-杂环卡宾（NHC）配体的空间影响。这些包括（a）掩埋体积百分比（% V-bur），其提供了方便的单个数字来测量空间影响和（B）空间图，其使用颜色编码的等高线图提供配体的空间分布的图形表示。这些工具的范围和局限性的关键讨论，沿着与它们在有机金属化学和催化的使用的一些例子。这篇文章应该为所有NHC的用户提供有机，有机金属和无机化学背景，了解如何使用这些工具来量化和比较它们的空间特性。
This Feature Article presents and discusses the use of different methods to quantify and explore the steric impact of N-heterocyclic carbene (NHC) ligands. These include (a) the percent buried volume (% V-bur), which provides a convenient single number to measure steric impact and (b) steric maps, which provide a graphical representation of the steric profile of a ligand using colour-coded contour maps. A critical discussion of the scope and limitations of these tools is presented, along with some examples of their use in organometallic chemistry and catalysis. This Article should provide all users of NHCs, from organic, organometallic, and inorganic chemistry backgrounds, with an appreciation of how these tools can be used to quantify and compare their steric properties.