The NSF Division of Chemistry and the Environmental Protection Agency support the Network for Sustainable Molecular Design and Synthesis focused on the computational design and synthetic exploration of earth abundant photocatalysts for carbon (C)-heteroatom (X) activation. This Network combines the efforts of Professors Anthony K. Rappe, Eric M. Ferreira, Tomislav Rovis and Matthew Shores at Colorado State University and Professor Niels H. Damrauer at the University of Colorado-Boulder. These faculty members combine diverse expertise in making, measuring, and modeling molecules to promote the development of novel, safe, sustainable and catalytic synthetic procedures. State of the art organic syntheses employing radical species are widely used in the production of fine chemicals and pharmaceuticals, but the methods suffer from the need for stoichiometric and/or rare metal reagents and high temperatures to achieve the necessary control of molecular structure. The overarching goal of this project is to supplant these reagents with designed molecular species - sourced from cheap, earth-abundant metals - that absorb solar radiation and selectively activate organic feedstocks toward efficient construction of complex molecules. Knowledge gained from this group's efforts results in new catalytic pathways that generate less waste via replacement of stoichiometric reagents, use less energy than current practices, and add value to reaction products. Translation of research products to the marketplace is facilitated by close interactions with University technology transfer groups and the pharmaceutical industry. Research results are integrated into teaching and outreach efforts, ranging from green chemistry demonstrations for K-12 students, to formal (under)graduate coursework, to new research opportunities for undergraduate students, to systems-based training for all junior researchers. Incorporation of sustainable chemistry practices into day-to-day lab work is a key feature of the program.
