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.

北卡罗来纳大学威尔明顿大学化学系的David P. White得到了无机，生物促和有机化学化学计划的支持，他的有机金属综合体对手性识别的工作。该项目结合了分子建模，计算和合成方法，以更好地理解与[（ETA-5-C5H4R）RE（CO）RE（CO）（L）（NO）]+复合物（R = ME，T-BU，T-BU，SIME3，3，SIME3，3，CO）RE（CO）RE（CO）RE（CO）RE（CO）RE（CO）RE（CO）RE（co）RE（co）Relefin结合（sime3，sime3，sime3，sime3，co） CPH3; L = PME3，PME2PH，PMEPH2，PPH3）。在本科机构计划（RUI）的研究下，该奖项强调了本科研究人员在合成和计算互补工具中的培训。这项关于rhenium替代的环戊二烯基复合物的工作也可能导致更好的途径，用于烯烃和其他手性转化的对映选择性氢化的途径。