Synthesis and Study of Theoretically Interesting Molecules

这项研究的重点包括实验和计算项目的结合，旨在加深对基本有机化学反应的理解。实验项目包括预测为双芳香族的半头戊烯的合成，1,2-二甲基-3,3-（双三甲基硅基）环丙烷开环的立体化学研究，环戊酮-2,5-二基的基质分离和红外光谱研究。提出的计算项目包括六氟环丙烷与卤素反应机理的电子结构计算，[1,5]信号位移中存在的合作和竞争取代基效应，以及决定各种过渡金属配合物在配体损失或不损失的情况下是否发生甲烷的还原消除的效应。有了这个奖项，有机和大分子化学项目支持了华盛顿大学化学系的韦斯顿·t·博登博士的研究。博登教授将专注于有机合成、有机和无机反应机制以及计算化学领域的3个实验项目和8个计算项目。除了为研究生和博士后提供培训外，该项目还将产生更广泛的影响，即促进博登小组与许多合作者的研究小组之间的知识交流，其中包括西雅图太平洋大学（SPU）化学系的研究小组。在太平洋大学的互动也将丰富该机构本科生的研究经验。

The focus of this research involves a combination of experimental and computational projects designed to give deeper understanding of basic organic chemical reactions. The experimental projects include the synthesis of a semibullvalene that is predicted to be bishomoaromatic, a study of the stereochemistry of the ring opening of 1,2-dimethyl-3,3-(bistrimethylsilyl) cyclopropane, and the matrix isolation and IR spectroscopy of cyclopentanone-2,5-diyl. Among the proposed computational projects are electronic structure calculations on the mechanism of the reaction of hexafluorcyclopropane with halogens, the existence of cooperative and competitive substituent effects in [1,5]sigmatropic shifts, and the effects that determine whether reductive elimination of methane occurs with or without ligand loss from a variety of transition metal complexes.With this 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 three experimental and eight computational projects in the areas of organic synthesis, organic and inorganic reaction mechanisms and computational chemistry. In addition to providing training for graduate students and postdoctorals, the project will have the broader impact of resulting in exchanges of knowledge between the Borden group and the research groups of many collaborators, including those in the chemistry faculty at Seattle Pacific University (SPU). The interaction at SPU will also enrich the research experience of undergraduates at that institution.