Experimental and Theoretical Study of Ligand Steric Effects in Homogeneous Catalysis

均相催化中配体空间效应的实验与理论研究

• 批准号: 1058984
• 负责人: Kevin Shaughnessy
• 金额: $ 34.8万
• 依托单位: University of Alabama Tuscaloosa
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-10-01 至 2015-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1058984&HistoricalAwards=false
• 关键词: Experimental; Theoretical; Study; Ligand; Steric

The Chemical Catalysis Program in the Chemistry Division at the National Science Foundation supports Professor Kevin Shaughnessy of the University of Alabama, for a combined experimental and theoretical investigation of the ligand structural effects on the performance of Pd catalysts for coupling reactions. The goal of this work is to understand the balance of steric and electronic properties of the ligands, typically phosphines, that make one catalyst operate at a faster rate or with higher turnover numbers than another. The Pd catalyst systems to be investigated here are popular reagents due to their high functional group compatibility and ease of use.The broader impacts of this research are centered in the combination of experimental and theoretical approaches to the problem of catalyst structure/reactivity relationships. The systematic approach applied through this collaboration will expose students to both techniques simultaneously, making it an excellent training ground for young scientists. The potential for rational design of new catalyst systems with improved performance is important for conservation of natural resources and the construction of "atom economical" manufacturing processes.

国家科学基金会化学部的化学催化计划支持阿拉巴马大学的凯文·肖尼西教授，对配体结构对PD催化剂的性能的结构效应进行了实验和理论研究。 这项工作的目的是了解配体的空间和电子特性的平衡，通常是磷，使一种催化剂以比另一个催化剂的速度更快或更高的周转率运行。此处要研究的PD催化剂系统由于其高功能群兼容性和易用性而是流行的试剂。这项研究的更广泛的影响集中在实验和理论方法与催化剂结构/反应性关系问题的结合中。通过这种合作采用的系统方法将同时使学生同时了解这两种技术，这是年轻科学家的绝佳训练场。具有改善性能的新催化剂系统合理设计的潜力对于保护自然资源和建造“原子经济”制造过程至关重要。