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

美国国家科学基金会可持续光氧化还原催化中心(SuPRCat)由化学部化学创新中心(CCI)项目支持。光氧化还原催化是一种利用光作为一次能源来极大地加速化学反应的催化。目前的大多数体系都包含贵金属作为光氧化还原催化剂(PC)，导致化学适用性更加有限，并且由于贵金属的高成本而降低了工业兴趣。SuPRCat的目标是通过创造新的可持续发展的PC来释放光氧化还原催化的潜力，这些PC的核心包含丰富的地球金属；SuPRCat还将就如何合理选择和使用这些PC以实现最佳效果建立新的理解。SuPRCat将研究在环境友好的单一反应容器中执行多催化转化的技术。SuPRCat将通过与行业利益相关者的积极接触来鼓励创新。以光氧化还原催化为重点的本科课程的开发和跨学院的研究交流计划将促进高等教育。SuPRCat还将制作和发布许多三分钟的视频，描述SuPRCat的主题，并促进招募下一代“SUPR”科学家。SuPRCat的使命是通过使用基于富含有机或稀土化合物的可持续催化剂和来自可见光的能源来设计强大的、与工业相关的工艺，从而改变化学合成。SuPRCat在第一阶段的首要目标是建立合理设计聚合物支持的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涵盖物理、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，与实验者密切合作，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了解封闭壳和开壳PC，其应用包括单电子转移和原子转移反应。PC系统将被合并成能够执行烷烃脱氢为烯烃、烷烃官能化和合成极性官能化单体的多催化系统。最后一个支柱是将这些多组分系统统一到多组分聚合物载体中，以提高效率和可回收性。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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.