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Section 6 Homogeneous catalysis for the sustainable production of fuels and chemicals Thibault Cantat (CEA Saclay) Walter Leitner (Max Planck Institute for Chemical Energy Conversion) 6.1 Importance of subject Homogeneous catalysis, i.e. catalytic processes enabled by molecular organometallic or organic compounds as active species, is a vital technology in today’s petrochemical value chain [1]. The European chemical industry leads the world in the development of these technologies, defining central pillars of societal welfare in the European Union [2]. High-energy small molecule building blocks, such as H2, CO, and olefins (all currently derived from fossil resources) are used as starting materials for a large diversity of products with precisely controlled molecular connectivities. Thus, the catalyst performance ultimately defines the application of the chemical compound in the final product. Products include fuel components, high-volume commodity chemicals and polymers, and high-value products (e.g. biologically active compounds such as agrochemicals or pharmaceuticals). Because they are defined at the molecular level, homogeneous catalysts offer distinctive de- sign features. The availability of spectroscopic tools combined with computational methods from quantum chemistry enable a detailed characterization of molecular structures and facilitate the exploration of catalytic mechanisms, leading over the past decades to the construction of a solid corpus of knowledge on the modes of cleavage and formation of chemical bonds. Combined with the modularity of organic and inorganic synthesis, a fine tuning of the stereoelectronic properties of molecular catalysts is accessible [3]. Additionally, these principles learned in homogeneous catal- ysis can be implemented in hybrid systems and materials sciences, bridging the fields of enzymatic, 60PDF Image | sustainable production of fuels and chemicals
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