Small Molecule Activation and Materials Synthesis

小分子活化与材料合成

• 批准号: 9816134
• 负责人: Peter Wolczanski
• 金额: $ 57.23万
• 依托单位: Cornell University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-03-01 至 2002-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9816134&HistoricalAwards=false
• 关键词: Small; Molecule; Activation; Materials; Synthesis

This award in the Inorganic, Bioinorganic, and Organometallic Chemistry Program supports studies of bond-making and bond-breaking events in organometallic and solid state compounds by Dr. Peter T. Wolczanski of the Chemistry Department, Cornell University. Sterically demanding pi-donors, such as tributyl-substituted silyl groups, will be attached to reactive low-coordinate metal complexes, particularly those containing tungsten (III-VI). These compounds will be used to investigate the mechanism and selectivity of activation of C-H, C-C and C-N bonds. A mechanistic assessment of beta-elimination of heteroatoms, a difficulty in Ziegler-Natta copolymerization, will provide information needed for prediction of functionality-tolerant systems. Emphasis will be placed on extending the scope and potential applications of a new class of solid state materials containing "covalent, metal-organic networks" (CMON). Titanium based 2- and 3-dimensional compounds will be explored as designer solid-state catalysts, since these have already shown some potential in olefin oligomerization. New soluble metal complexes will be synthesized and their reactivity in small molecule catalysis will be determined. In addition to obtaining fundamental knowledge important in organometallic chemistry, the results are relevant to catalysis in the petroleum industry and solid state chemistry. Students involved in the project will learn skills in manipulation of air-sensitive compounds, spectroscopic characterization, structure determination, computer simulation of mechanistic investigations, and computational modeling.

该奖项在无机，生物无机和有机化学计划支持的研究，使键和键断裂事件的有机金属和固态化合物的彼得T。康奈尔大学化学系的Wolczanski说。 对空间要求高的π-给体，例如三丁基取代的甲硅烷基，将连接到反应性低配位金属配合物上，特别是那些含有钨（III-VI）的配合物。这些化合物将用于研究C-H、C-C和C-N键的活化机理和选择性。 β-消除的杂原子，在齐格勒-纳塔共聚的困难，机械评估，将提供所需的信息预测的功能耐受系统。 重点将放在扩展的范围和潜在的应用，一类新的固态材料含有“共价，金属有机网络”（CMON）。 基于钛的二维和三维化合物将被探索作为设计者固态催化剂，因为这些已经显示出在烯烃低聚中的一些潜力。 将合成新的可溶性金属配合物，并测定它们在小分子催化中的反应性。 除了获得重要的有机金属化学的基础知识，结果是相关的催化在石油工业和固态化学。 参与该项目的学生将学习操作空气敏感化合物，光谱表征，结构测定，机械研究的计算机模拟和计算建模的技能。