Hypervalent Radical Chemistry and Photochemistry

超价自由基化学和光化学

• 批准号: 9412774
• 负责人: Frantisek Turecek
• 金额: $ 22.5万
• 依托单位: University of Washington
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-07-15 至 1996-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9412774&HistoricalAwards=false
• 关键词: Hypervalent; Radical; Chemistry; Photochemistry

With funding from the Organic Dynamics Program Professor Turacek of the University of Washington will study by the use of a tandem mass spectrometer the behavior of hypervalent radicals. Organic heteroatom molecules containing oxygen, nitrogen, phosphorus, and sulfur will be used to generate hypervalent radicals formed by femtosecond electron transfer in the gas phase. Four aspects of the hypervalent radicals will be studied. They are: (1) photochemistry; (2) probing protonation sites by radical dissociations; (3) intramolecular electron transfer; and (4) hydrogen atom transfer. Novel carbon containing molecules that may also contain sulfur, nitrogen, phosphorus, or oxygen will be subjected to high energy electromagnetic radiation to prepare species with very short lifetimes and unusual electron arrangements. The behavior of these species in the gas phase will be measured by a mass spectrometer of unique design. Theoretical computations will be used to simulate the data acquired from the experiments. These results will help define what variables must be modified for computational experiments using high performance computers.

在有机动力学项目的资助下， 华盛顿大学将研究通过使用串联质量 超价自由基的行为。有机杂原子 含有氧、氮、磷和硫的分子将被 用于产生由飞秒电子形成的超价自由基 在气相中转移。 超价自由基的四个方面将 被研究。它们是：（1）光化学;（2）探测质子化位点 自由基离解;（3）分子内电子转移;（4） 氢原子转移 新型含碳分子还可含有硫、氮 磷或氧将受到高能电磁辐射 辐射制备寿命非常短的物种， 电子排列这些物质在气相中的行为 将通过独特设计的质谱仪进行测量。理论 计算将被用来模拟从 实验这些结果将有助于定义哪些变量必须 为使用高性能计算机的计算实验而修改。