RUI: Chemistry at the Interface Between Computation and Experiment: Chiral Recognition using Novel Organometallic Complexes

RUI：计算与实验之间的化学：使用新型有机金属配合物进行手性识别

• 批准号: 0111131
• 负责人: Robert Hancock
• 金额: $ 15万
• 依托单位: University of North Carolina at Wilmington
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-07-01 至 2005-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0111131&HistoricalAwards=false
• 关键词: RUI; Chemistry; Interface; Between; Computation

David P. White, Chemistry Department, University of North Carolina at Wilmington, is supported by the Inorganic, Bioinorganic and Organometallic Chemistry Program for his work on chiral recognition by organometallic complexes. The project incorporates molecular modeling, computational and synthetic approaches to better understand stereoselective prochiral olefin binding to [(eta-5-C5H4R)Re(CO)(L)(NO)]+ complexes (R = Me, t-Bu, SiMe3, CPh3; L=PMe3, PMe2Ph, PMePh2, PPh3).This award is made under the Research at Undergraduate Institutions Program (RUI) and emphasizes the training of undergraduate researchers in the complementary tools of synthesis and computation. This work on substituted cyclopentadienyl complexes of rhenium may also lead to better routes for enantioselective hydrogenation of olefins and other chiral transformations.

威尔明顿的北卡罗来纳州大学化学系的大卫P.白色，因其在有机金属配合物手性识别方面的工作而得到无机、生物无机和有机化学计划的支持。该项目结合了分子建模，计算和合成方法，以更好地了解立体选择性的前手性烯烃结合[（eta-5-C5 H4 R）Re（CO）（L）（NO）]+配合物（R = Me，t-Bu，SiMe 3，CPh 3; L=PMe3、PMe2Ph、PMePh2，该奖项是根据本科院校研究计划（RUI）颁发的。并强调在合成和计算的互补工具的本科研究人员的培训。这一工作取代的手性配合物的ESTA也可能导致更好的路线烯烃的对映选择性氢化和其他手性转化。