Functional Design for Reactive Alkali and Alkaline-earth Allyl Complexes

活性碱和碱土烯丙基配合物的功能设计

• 批准号: 0616880
• 负责人: Timothy Hanusa
• 金额: --
• 依托单位: Vanderbilt University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-08-01 至 2010-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0616880&HistoricalAwards=false
• 关键词: Functional; Design; Reactive; Alkali; Alkaline

Professor Timothy Hanusa of Vanderbilt University is supported by the Inorganic, Bioinorganic and Organometallic Chemistry program to develop the chemistry of alkali and alkaline earth reagents coordinated by sterically bulky allyl ligands. Computational studies employing density functional theory are being used to probe the sigma and pi bonding geometries of these allyl complexes. The combination of Groups 1 and 2 and Group 12 metals allows for systematic variation of the metal radius, and anionic allyl complexes are being explored for use in ion transport and as polymerization catalysts.The alkali and alkaline earth metals are of enormous technological and biological importance. Graduate students supported by this award participate in the Vanderbilt Student Volunteers for Science program and provide inquiry-based science activities for middle school students in Nashville. The combination of theory and challenging experimental techniques that are integral to this project provide excellent training for future chemists.

范德比尔特大学的Timothy Hanusa教授得到无机、生物无机和有机化学项目的支持，开发了由空间体积庞大的烯丙基配体配位的碱金属和碱土金属试剂的化学。采用密度泛函理论的计算研究被用来探测这些烯丙基络合物的σ和π键合几何形状。第1族和第2族以及第12族金属的组合允许金属半径的系统变化，并且阴离子烯丙基配合物正在被探索用于离子传输和作为聚合催化剂。碱金属和碱土金属具有巨大的技术和生物重要性。该奖项支持的研究生参加范德比尔特学生科学志愿者计划，并为纳什维尔的中学生提供基于探究的科学活动。 理论和具有挑战性的实验技术相结合，是这个项目的组成部分，为未来的化学家提供了良好的培训。