Catalysts play a significant role in the production of chemicals. Nanocatalysts have the potential for improved efficiency, selectivity and yield of the catalytic process. The higher surface to volume ratio translates into increased active participation of the catalyst in the reaction. The potential for reduced costs from a material, equipment, labor and time standpoint, is tremendous. Higher selectivity means less waste and fewer impurities, which could lead to increased safety and reduced environmental impact. Combination of computational approaches with experimental methods to reveal the mechanistic pathway of organic reactions provides more detailed information about the structure, bonding, stereochemistry and spectroscopic properties of compounds through the reaction path and consequently leads to the new opportunities for production of novel chemicals and discovery of useful drugs.
Most methods commonly used in organic transformations have disadvantages, such as extreme reaction conditions, low yield, time consuming process and use of expensive catalysts. Thus, the synthesis of organic and pharmaceutical compounds using green, fast, effective and mild avenue is an important goal for organic chemists. This Research Topic aims to become the point of reference for the latest advances in the synthesis of nano-organometallic catalysts and their application in organic chemistry reactions combined with the evaluation of reaction mechanistic pathway.
We welcome submissions of Original Research and Review papers in themes including but not limited to:
• Synthesis of novel of nano-organometallic catalysts
• Applications of novel nano-organometallic catalysts for the synthesis of organic compounds
• Quantum chemistry approaches to organic reaction mechanisms
• Potential energy surface scan and transition state modelling
• Computational approaches to organo-metallic based catalysis
Keywords: computational chemistry, nano-organometallic chemistry, mechanistic pathway, nanocatalyst, reaction mechanistic pathway
Important note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.
