CCI Phase I: NSF Center for Sustainable Photoredox Catalysis (SuPRCat)

NSF可持续光氧化还原催化中心（SuPRCat）是由化学部化学创新中心（CCI）项目支持的。光氧化还原催化是一种利用光作为主要能源，显著加速化学反应的催化类型。目前大多数系统都将贵金属作为光氧化还原催化剂（pc），导致其化学适用性更有限，并且由于贵金属的高成本而降低了工业兴趣。supercat的目标是通过创造新的可持续pc，将地球丰富的金属纳入其核心，释放光氧化还原催化的潜力；SuPRCat也将建立新的认识，如何合理选择和使用这些个人电脑，以达到最佳效果。supercat将研究在一个环境友好的单一反应容器中进行多催化转化的技术。supercat将通过与行业利益相关者的积极参与来鼓励创新。以光氧化还原催化为重点的本科课程的发展和跨机构的研究交流计划将促进高等教育。SuPRCat还将制作并发布许多描述SuPRCat主题的三分钟视频，并促进招募下一代“SuPR”科学家。SuPRCat的使命是通过使用基于有机或富含地球的化合物和可见光能量的可持续催化剂，设计强大的工业相关工艺来改变化学合成。SuPRCat第一阶段的总体目标是建立合理设计聚合物支撑PC系统的能力，并成功地将该系统用于一锅、多催化转化。SuPRCat将通过将学术界和工业界科学家的广泛集体专业知识与物理、计算、光谱、光、电、磁、催化、合成、有机、无机、聚合物和材料化学等领域的互补专业知识相结合，实现这一根本性突破。SuPRCat将创建一个基于机器学习的计算和数据驱动的发现平台，与实验人员密切合作，智能搜索化学空间，识别新的有机pc类别，优化现有pc的性能，并确定相应的反应条件。该团队将专注于开发和理解包括单电子转移和原子转移反应在内的应用程序的闭壳和开壳pc。pc系统将被合并成多催化系统，能够进行烷烃脱氢成烯烃、烷烃功能化和极性功能化单体的合成。最后一个支柱是将这些多组分系统统一为非均相聚合物支撑，以提高效率和可回收性。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

The NSF Center for Sustainable Photoredox Catalysis (SuPRCat) is supported by the Centers for Chemical Innovation (CCI) Program of the Division of Chemistry. Photoredox catalysis is a type of catalysis that dramatically speeds up chemical reactions by using light as the primary energy source. Most current systems incorporate precious metals as photoredox catalysts (PCs), resulting in a more limited chemical applicability and reduced industrial interest due to the high costs of precious metals. The goal of SuPRCat is to unleash the potential of photoredox catalysis by creating new sustainable PCs that incorporate earth abundant metals at their core; SuPRCat will also establish new understandings on how to rationally select and use these PCs to best effect. SuPRCat will investigate techniques for performing multi-catalytic transformations in an environmentally friendly, single reaction vessel. SuPRCat will encourage innovation through active engagement with industrial stakeholders. The development of undergraduate curriculum focused on photoredox catalysis and a research exchange program across institutions will promote higher education. SuPRCat will also create and post numerous three-minute videos that describe SuPRCat topics and promote recruitment of the next generation of “SuPR” scientists. The mission of SuPRCat is to transform chemical synthesis by designing powerful, industrially relevant processes using sustainable catalysts based on organic or earth abundant compounds and the energy from visible light. The overarching goal of SuPRCat in Phase I is to establish the capability to rationally design a polymer supported PC system and successfully employ the system for one-pot, multi-catalytic transformations. SuPRCat will achieve this fundamental breakthrough by merging the broad collective expertise of scientists from academia and industry with complementary expertise spanning physical, computational, spectroscopic, photo-, electro-, magnetic, catalytic, synthetic, organic, inorganic, polymer, and materials chemistries. SuPRCat will create a computational and data-driven discovery platform based upon machine learning that works closely with experimentalists to intelligently search chemical space and identify new classes of organic PCs, optimize the performance of existing PCs, and identify corresponding reaction conditions. The team will focus on developing and understanding closed-shell and open-shell PCs with applications that include single electron transfer and atom transfer reactions. Systems of PCs will be merged together into multi-catalytic systems capable of performing dehydrogenation of alkanes to alkenes, alkane functionalization, and the synthesis of polar functionalized monomers. The final pillar will be to unify these multi-component systems into heterogeneous polymer supports for increased efficiency and recyclability.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.