Transition Metal and Main Group Organometallic Chemistry: Synthesis and Catalysis

过渡金属和主族有机金属化学：合成与催化

• 批准号: 183484-2013
• 负责人: Piers, Warren
• 金额: $ 9.11万
• 依托单位: University of Calgary
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2015
• 资助国家: 加拿大
• 起止时间: 2015-01-01 至 2016-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=569635
• 关键词: Transition; Metal; Main; Group; Organometallic

Chemical catalysis is a process by which useful reactions are improved in rate, selectivity and efficiency by addition of a species that is not consumed in the reaction-the catalyst. Transition metal-based catalysts act by providing low energy pathways for making and breaking chemical bonds. For reactions that require energy to go to completion, catalysts may also harvest energy from sunlight to drive reactions forward. Discovery of catalysts that convert CO2 or H2O (two highly abundant small molecules) into useful products or fuels are at the crux of research aimed at finding solutions to major environmental (CO2 utilization) and energy (splitting of water into H2 and O2) problems that face humanity today. Our group is actively involved in the search for new catalysts and light harvesting materials and probing the detailed molecular mechanisms by which they operate. This fundamental knowledge is critical for the development of catalysts for these reactions on an industrially significant scale. This proposal focuses on three main areas of inquiry: 1) Early Transition Metal Catalysts for CO2 Conversion. 2) Organometallic Approaches to Water Splitting. 3) Boron Containing Heterocycles for Materials Applications. Although these topics span the periodic table, our approach in all projects is unified by the desire to identify important reactions and study them in great detail at the molecular level. This involves conducting in-depth mechanistic studies using all of the modern spectroscopic, structural, computational and kinetic techniques available. The value of such detailed information is that development of improved, next generation catalysts is informed by precise kinetic and thermodynamic data and not trial and error. The approach also provides an excellent training ground for synthetic and mechanistic chemistry, leaving graduates with sound problem-solving skills as well as technical proficiency in the techniques of modern chemistry.

化学催化是通过添加一种在反应中不消耗的物种-催化剂来提高有用的反应的速度、选择性和效率的过程。过渡金属催化剂通过为化学键的形成和断裂提供低能途径来发挥作用。对于需要能量才能完成的反应，催化剂还可以从阳光中获取能量来推动反应。将二氧化碳或水(两种高度丰富的小分子)转化为有用的产品或燃料的催化剂的发现，是旨在寻找解决当今人类面临的主要环境(二氧化碳利用)和能源(将水分解为H2和O2)问题的研究的关键。我们的团队积极参与寻找新的催化剂和捕光材料，并探索它们的详细分子机制。这一基础知识对于大规模开发用于这些反应的催化剂至关重要。这项建议侧重于三个主要的调查领域： 1)早期用于二氧化碳转化的过渡金属催化剂。 2)有机金属分解水的方法。 3)材料用含硼杂环化合物。 虽然这些主题跨越了元素周期表，但我们在所有项目中的方法都是统一的，因为我们希望识别重要的反应并在分子水平上非常详细地研究它们。这包括使用所有可用的现代光谱、结构、计算和动力学技术进行深入的机理研究。这些详细信息的价值在于，改进的下一代催化剂的开发是由精确的动力学和热力学数据提供信息的，而不是反复试验。该方法还为合成化学和机械化学提供了一个极好的培训基础，使毕业生拥有良好的解决问题的技能和现代化学技术的熟练程度。