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

摘要提案题目：NIRT：设计用于对映选择性单位点催化的纳米多孔材料提案号：cts -0507013首席研究员：Randall Q. snurr机构：西北大学分析（决策依据）：过去五年来，新型微孔材料的爆炸式增长，这些材料由有机连接分子连接的金属顶点组成，可以创造出具有纳米尺寸孔的高度可定制的晶体材料。这些金属有机骨架（MOFs）具有沸石的许多最理想的特征，被广泛用于环境友好的催化过程。然而，由于mof具有更广泛的潜在结构和化学功能的多样性，它们有可能彻底改变催化作用，并在化学加工中像沸石一样广泛应用。这个多学科项目的目标是：开发MOFs作为催化剂，具有沸石无法达到的化学功能。这些材料将作为单位点酶模拟物，有效地催化对映选择性反应，能量需求和材料浪费最少。针对几类技术上重要的反应。将建模与新材料和新工艺的实验合成、表征和测试紧密交互，以实现前两个目标。这项研究将产生一种新型的多相催化剂，并为纳米技术中使用的催化剂、吸附剂和其他材料的设计和发现提供一个强大的、高度可转移的实验/建模范例。研究和教育计划的重点是利用纳米技术促进可持续发展。拟议的研究将作为纳米科学和技术重要领域的本科生、研究生和博士后的培训平台，并将提供跨学科科学研究艺术的经验。拟议的科学具有明确的经济和环境影响，有可能造福社会，例如降低能源消耗和减少重要化学过程中的废物。潜在的人类健康益处包括以较低的成本获得用于生产对映异构纯药物的手性化学品。将可持续发展和纳米技术联系起来的课程开发也是该项目的组成部分。

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.