Discovery of Organic and Organometallic Intermediates

通过这一奖项，化学结构、动力学和机制B项目支持布朗大学威廉教授的基础研究。威廉教授将利用核磁共振测量对溶液中化合物的分子量进行快速、准确、灵敏和定量的评估。这项技术提供了对化合物和过程的快速评估，包括快速评估锂离子电池(LIB)的新电解液、快速监控使用过的食用油形成生物柴油燃料、高通量筛选新药物，以及实时分析具有工业重要性的大规模化学反应，如聚合和催化过程。它适用于小分子、中分子和大分子。威廉教授与位于罗得岛州普罗维登斯的国家组织领导力联盟(Leadance Alliance)合作，积极识别、鼓励和支持少数族裔学生参与研究项目-在这笔赠款的支持下，以及在布朗大学和南卡罗来纳州奥兰治堡的克拉夫林大学化学系主任的鼓励下，南加州大学将访问克拉夫林，教授一门关于现代结构确定的课程，重点是该项目中开发的技术。克拉夫林大学的教职员工和学生都将参加旨在促进克拉夫林大学少数族裔学生和教职员工之间加强合作的交流访问，这项研究是在布朗大学进行的。核磁共振(核磁共振)，称为扩散定向光谱或DOY，将得到增强和调整，用于表征和发现新的和现有的碱金属化合物、过渡金属簇合物和二氧化碳衍生的替代能源燃料。这项特殊的技术利用脉冲梯度射频(RF)场来确定分析物在溶液中的扩散特性。制定这一方法的目的是提高有机、有机金属和大分子化合物参与的化学反应的效率。拟议项目的一个重要方面是它将增强扩散公式权重分析(D-FW)，从而提高纯位移核磁共振实验的灵敏度。单晶X射线衍射分析(X射线衍射仪)将与溶液相结构的确定相结合，用于证实和补充核磁共振分析。

With this award, the Chemical Structure, Dynamics and Mechanism B program supports fundamental research of Professor Williard at Brown University. Professor Williard will develop a fast, accurate, sensitive and quantitative assessment of the molecular weight of chemical compounds in solution utilizing nuclear magnetic resonance measurements. This technique provides a rapid evaluation of chemical compounds and processes including rapid assessment of new electrolytes for lithium ion batteries (LIB), rapid monitoring of biodiesel fuel formation from used cooking oils, high throughput screening of new pharmaceuticals, and real time analysis of industrially important, bulk-scale chemical reactions such as polymerization and catalytic processes. It is applicable to small, medium and large molecules. Professor Williard in conjunction with the Leadership Alliance - a national organization based in Providence, RI that actively identifies, encourages and supports underrepresented minority student participation in research projects - with support from this grant and encouragement from the chairs of the chemistry departments at Brown University and at Claflin University in Orangeburg, SC will visit Claflin and teach a course on modern structure determination emphasizing the techniques developed in this project. Both faculty and students from Claflin will participate in exchange visits designed to foster increased collaboration between the largely minority student and faculty at Claflin with this research at Brown University.Nuclear magnetic resonance (NMR), referred to as diffusion oriented spectroscopy or DOSY, will be enhanced and tuned for the characterization and discovery of new and existing alkali metal compounds, transition metal clusters, and alternative energy fuels derived from carbon dioxide. This specific technique utilizes pulsed gradient radio frequency (rf) fields to determine diffusion characteristics of analytes in solution. The methodology will be developed with the goal of improving the efficiency of the chemical reactions in which organic, organometallic and macromolecular compounds participate. An important aspect of the proposed project is that it will enhance diffusion-formula weight analysis (D-FW) with improvements in the sensitivity of pure shift NMR experiments. Single crystal x-ray diffraction analysis (XRD) will be performed in conjunction with the solution phase structure determination where applicable to corroborate and to complement NMR analyses.