Synthesis and Study of Theoretically Interesting Molecules

该奖项支持的研究包括各种研究。二硅基环丙烷开环形成1，3-二自由基；四环烯、降冰片、降冰片烯、3，3，44-四氟环丁炔和1，2-环丁二烯自由基的生成是这项工作的实验目标之一。文中还提出了一些计算方案。典型的例子包括：1，2，6-庚二烯Cope重排的直接轨迹和统计轨迹之间的分配，取代基和溶剂对苯基硝烯三个最低电子态的影响，单、二和三苯基-1，5-己二烯的Cope重排，环戊炔到烯烃的环加成反应，从铂(0)和铂(II)络合物的还原消除以及立体异构体(R3P)2RE(CO)3(H2)+的热力学和动力学稳定性。博登教授将把他的工作重点放在实验和理论问题的结合上。拟议的研究旨在开发和测试解释和预测有机和有机金属分子的化学和光谱的理论模型。这项拟议的研究将通过教育本科生和研究生、三名来自只有本科生研究项目的学校的教职员工，以及通过与博登博士的团队合作的许多小组继续交流信息和专业知识，来造福于科学基础设施。

The research supported by this award includes a variety of studies. The ring opening of disilylcyclopropanes to form 1,3-diradicals; the generation of quadricyclene, norbornyne, norbornenyne, 3,3,44-tetrfluorocyclobutyne and 1,2-cyclobutadiene radical anions are among the experimental goals of the work. A number of computational projects are also proposed. Representative examples include: the partitioning between direct and statistical trajectories in the Cope rearrangement of 1,2,6-heptadiene, the effects of substituents and solvent on the three lowest electronic states of phenylnitrene, the Cope rearrangements of mono-, di- and triphenyl-1,5-hexadienes, cycloadditions of cyclopentyne to alkenes, reductive elimination from Pt(0) and Pt(II) complexes and the thermodynamic and kinetic stabilities of stereoisomeric (R3P)2Re(CO)3(H2)+ species.With this Renewal award, the Organic and Macromolecular Chemistry Program is supporting the research of Dr. Weston T. Borden of the Department of Chemistry at the University of Washington. Professor Borden will focus his work on a combination of experimental and theoretical problems. The proposed studies are aimed at developing and testing theoretical models, that explain and predict the chemistry and spectroscopy of organic and organometallic molecules. The proposed research will benefit the scientific infrastructure by educating undergraduate and graduate students, through the involvement of three faculty members from schools with only undergraduate research programs, and by continued exchanges of information and expertise with the many groups with which Dr. Borden's group collaborates.