权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

New Ruthenium Catalysts for C-C bond Formation: A Combined Experimental and Theoretical Approach

用于 C-C 键形成的新型钌催化剂：实验与理论相结合的方法

基本信息

批准号：
EP/H011455/1
负责人：
Jason Lynam
金额：
$ 30.24万
依托单位：
University of York
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2009
资助国家：
英国
起止时间：
2009 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FH011455%2F1
关键词：
New Ruthenium Catalysts bond Formation

项目摘要

The preparation of novel chemical compounds forms a fundamental part of the development of a wide range of important materials in modern society such as pharmaceuticals, agricultural agents, plastics etc. The majority of compounds for these applications are based on the element carbon and new and efficient ways to form new carbon-carbon and carbon-X (where X is a different element) are required. Foremost amongst the modern techniques to form new carbon-carbon and carbon-X bonds use transition metal compounds as catalysts (i.e. additives which increase the speed and possibly the efficiency of a given reaction). Successful and widely used catalysts have been developed based on a range of metals, notably palladium, ruthenium and molybdenum, and work in this area resulted in the award of the 2005 Noble Prize to Richard Schrock, Robert Grubbs and Yves Chauvin. The aim of this project is to develop an in-depth understanding of a series of less well used catalysts. The compounds which we will develop have been shown to be capable of assisting in the formation of a range of new carbon-carbon and carbon-X bonds, however, they have several drawbacks - such as a large amount of catalyst is often required and high temperatures must be employed. The project will entail an in-depth study of the fundamental steps of the reactions of interest which will use a two pronged attack. Firstly a series of experimental studies will be performed which will provide direct evidence about the nature of these reactions. Secondly, and simultaneously, a series of high-level theoretical calculations will be employed to provide insight from a different perspective. The key to the success of this project will be the synergy between the theoretical and experimental programmes as each will provide important information about the reactions under study and inform the development of the other.Ultimately, this research will result in the development of new catalysts and new synthetic reactions that will enable the facile formation of new compounds with applications in, for example, the pharmaceutical and agricultural industries.

新型化合物的制备形成了现代社会中广泛的重要材料的开发的基本部分，例如药物，农业制剂，塑料等。用于这些应用的大多数化合物基于元素碳，并且需要新的有效方法来形成新的碳-碳和碳-X（其中X是不同的元素）。在形成新的碳-碳和碳-X键的现代技术中，最重要的是使用过渡金属化合物作为催化剂（即增加给定反应的速度和可能的效率的添加剂）。基于一系列金属，特别是钯、钌和钼，已经开发出了成功和广泛使用的催化剂，这一领域的工作使理查德·施罗克、罗伯特·格拉布斯和伊夫·肖万获得了2005年诺贝尔奖。该项目的目的是深入了解一系列使用较少的催化剂。我们将开发的化合物已被证明能够帮助形成一系列新的碳-碳和碳-X键，然而，它们有几个缺点-例如通常需要大量的催化剂并且必须使用高温。该项目将需要深入研究感兴趣的反应的基本步骤，这将使用双管齐下的攻击。首先，将进行一系列实验研究，这将提供有关这些反应性质的直接证据。其次，同时，将采用一系列高级理论计算，从不同的角度提供见解。该项目成功的关键是理论和实验方案之间的协同作用，因为每一个方案都将提供有关所研究反应的重要信息，并为另一个方案的开发提供信息。最终，这项研究将导致开发新的催化剂和新的合成反应，从而能够容易地形成新的化合物，例如，制药业和农业。