Tests of Conservation Orbital Symmetry for Reactions of Olefins and Ammonia on Platinum

铂上烯烃和氨反应的守恒轨道对称性测试

• 批准号: 8613258
• 负责人: Richard Masel
• 金额: $ 22.8万
• 依托单位: University of Illinois at Urbana-Champaign
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1987
• 资助国家: 美国
• 起止时间: 1987-03-01 至 1990-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8613258&HistoricalAwards=false
• 关键词: Tests; Conservation; Orbital; Symmetry; Reactions

Basically, this is an extension of the theory of Woodward and Hoffmann (for which they won a Nobel prize) for homogeneous systems to heterogeneous systems, specifically solid surfaces. The project involves computation of reaction probabilities, experimental confirmation of predictions, and reduction of results to a simple physical model which could be applied without extensive calculations. The conceptual framewrok proposed has potential to revolutionize thinking on surface reactivity.

基本上，这是伍德沃德理论的延伸， 霍夫曼（他们因此获得了诺贝尔奖）， 系统到异构系统，特别是固体表面。 该项目包括计算反应概率， 实验证实的预测，并减少 结果是一个简单的物理模型，可以应用，而无需 广泛的计算。 所提出的概念框架 有可能彻底改变对表面反应性的看法。