Hypervalent Radical Chemistry and Photochemistry

在有机动力学项目的资助下，华盛顿大学的Turacek教授将使用串联质谱仪研究高价自由基的行为。含有氧、氮、磷和硫的有机杂原子分子将被用来在气相中产生由飞秒电子转移形成的高价自由基。高价自由基的四个方面将被研究。它们是：(1)光化学；(2)通过自由基解离探测质子化位点；(3)分子内电子转移；(4)氢原子转移。新型含碳分子也可能含有硫、氮、磷或氧，将受到高能电磁辐射，以制备寿命极短和电子排列不寻常的物质。这些物质在气相中的行为将由一种独特设计的质谱仪来测量。理论计算将用于模拟从实验中获得的数据。这些结果将有助于定义使用高性能计算机进行计算实验时必须修改的变量。

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.