NIRT: Design of Nanoporous Materials for Enantioselective Single-Site Catalysis and Separations

摘要提案标题：NIRT：用于对映选择性单中心催化的纳米多孔材料的设计方案编号：CTS-0507013主要研究者： 兰德尔·Q Snurr机构： 西北大学分析（决策依据）：在过去的五年里，新型微孔材料出现了爆炸式增长，这些材料由有机连接分子相互连接的金属顶点组成，可以创造出具有纳米尺寸孔隙的高度可定制的结晶材料。 这些金属有机骨架（MOF）具有沸石的许多最理想的特征，其广泛用于环境友好的催化过程。 然而，由于可以想象的MOFs的潜在结构和化学功能的更广泛多样性，它们有可能彻底改变催化作用，并在化学加工中变得像沸石一样广泛。 这个多学科项目的目标是：开发MOFs作为催化剂，具有沸石无法实现的化学功能。 这些材料将作为单位点酶模拟物，其有效地催化对映选择性反应，具有最小的能量需求和材料浪费。 针对几类技术上重要的反应。在紧密互动的模式下使用建模与新材料和工艺的实验合成，表征和测试，以实现前两个目标。该研究将产生一类新的非均相催化剂，并为设计和发现催化剂，吸附剂，研究和教育计划的重点是利用纳米技术促进可持续发展。 拟议的研究将作为本科生，研究生和博士后学生在纳米科学和技术的重要领域的培训平台，并将提供跨学科科学研究的艺术经验。拟议的科学具有明确的经济和环境影响，有可能造福社会，例如在重要的化学过程中降低能源消耗和减少废物。 潜在的人类健康惠益包括以较低的成本获得手性化学品以生产对映体纯药物。 将可持续发展与纳米技术联系起来的课程开发也是该项目的一个组成部分。

AbstractProposal Title: NIRT: Design of Nanoporous Materials for Enantioselective Single-Site CatalysisProposal Number: CTS-0507013Principal Investigator: Randall Q. SnurrInstitution: Northwestern University Analysis (rationale for decision):The past five years have seen an explosion of new microporous materials consisting of metal vertices interconnected by organic linker molecules to create highly tailorable, crystalline materials with pores of nanometer dimension. These metal-organic frameworks (MOFs) have many of the most desirable features of zeolites, which are widely used for environmentally friendly catalytic processes. However, because of the wider diversity of potential structures and chemical functionalities that can be imagined for MOFs, they have the potential to revolutionize catalysis and to become as widespread as zeolites in chemical processing. The objectives of this multidisciplinary project are to:Develop MOFs as catalysts with chemical functionalities that are unattainable with zeolites. These materials will function as single-site enzyme mimics that are effective at catalyzing enantioselective reactions with minimal energy requirements and material waste. Target several classes of technologically important reactions. Use modeling in a tight interactive mode with experimental synthesis, characterization, and testing of new materials and processes to achieve the first two objectives.The research will result in a new class of heterogeneous catalysts and a powerful and highly transferable experimental/modeling paradigm for design and discovery of catalysts, adsorbents, and other materials of use in nanotechnology.The research and education plans focus on the use of nanotechnology for sustainable development. The proposed research will serve as a training platform for undergraduates, graduate students, and postdoctoral students in important areas of nanoscience and technology and will provide experience in the art of interdisciplinary scientific research. The proposed science has clear economic and environmental implications that have the potential to benefit society, such as lower energy consumption and reduced waste in important chemical processes. Potential human health benefits include access at lower cost to chiral chemicals for production of enantiomerically pure pharmaceuticals. Course development linking sustainable development and nanotechnology is also an integral part of the project.