Synthesis and Study of Theoretically Interesting Molecules

理论上有趣的分子的合成和研究

• 批准号: 0503878
• 负责人: Weston Borden
• 金额: $ 34.77万
• 依托单位: University of North Texas
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-11-01 至 2006-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0503878&HistoricalAwards=false
• 关键词: Synthesis; Study; Theoretically; Interesting; Molecules

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.

这项研究的重点涉及实验和计算项目的结合，旨在更深入地了解基本有机化学反应。 实验项目包括预计为双芳香族的半牛瓦烯的合成、1,2-二甲基-3,3-(双三甲基硅基)环丙烷开环立体化学的研究、以及环戊酮-2,5-二基的基质分离和红外光谱研究。拟议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]σ位移中协同和竞争取代基效应的存在，以及确定在各种过渡金属配合物中配体损失或不损失的情况下甲烷的还原消除是否发生的影响。 该计划正在支持华盛顿大学化学系 Weston T. Borden 博士的研究。 博登教授的工作重点是有机合成、有机和无机反应机制以及计算化学领域的三个实验项目和八个计算项目。 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，促进 Borden 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。 SPU 的互动也将丰富该机构本科生的研究经验。