Synthesis and Study of Theoretically Interesting Molecules

理论上有趣的分子的合成和研究

• 批准号: 9909893
• 负责人: Weston Borden
• 金额: $ 57万
• 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: 2000
• 资助国家: 美国
• 起止时间: 2000-01-01 至 2003-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9909893&HistoricalAwards=false
• 关键词: Synthesis; Study; Theoretically; Interesting; Molecules

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.

该奖项支持的研究包括各种研究。二甲硅基环丙烷开环形成1，3-双自由基;生成四环烯、降冰片炔、环己炔、3，3，44-四氟环丁炔和1，2-环丁二烯自由基阴离子是这项工作的实验目标。 还提出了一些计算项目。 代表性的例子包括：1，2，6-庚二烯的科普重排中直接轨道和统计轨道的划分，取代基和溶剂对苯基氮烯三个最低电子态的影响，单-，二-和三苯基-1，5-己二烯的科普重排，环戊炔与烯烃的环加成，Pt（0）和Pt（II）络合物的还原消除以及立体异构体（R3 P）2 Re（CO）3（H2）+物种的热力学和动力学稳定性。凭借这一更新奖，有机和高分子化学计划正在支持韦斯顿博士的研究。他是华盛顿大学化学系的博登。 博登教授将把他的工作集中在实验和理论问题的结合上。 拟议的研究旨在开发和测试理论模型，解释和预测有机和有机金属分子的化学和光谱。 拟议中的研究将有利于教育本科生和研究生的科学基础设施，通过三名教师的参与，从学校只有本科研究计划，并通过与博登博士的小组合作的许多团体的信息和专业知识的持续交流。