Ligand parameterization studies aiming to increase the catalytic performance in lignin depolymerization reactions catalyzed by Co(salen) complexes

• Grant number: 21/08132-0
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: December 01, 2021
• End date: May 31, 2023
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Organic Chemistry
• Principal Investigator: Marco Antonio Barbosa Ferreira
• Grantee: Ariel de Araújo Pereira
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil

Abstract

The development of cost-effective and efficient methodologies for biomass processing by the chemical industry is a matter of intense research, which marks an important transition from an oil-based economy to a biobased and sustainable one. The following project invests in the lignin depolymerization interface using Co(salen) catalysts for the generation of aromatic compounds, with the objective of improving their yield and selectivity so that they can work with more complex lignin models. Therefore, computational calculations will be implemented to study and parameterize the catalyst ligands by molecular descriptors that will be used to develop predictive models from statistical tools of multivariate analysis. The construction of these models can ultimately contribute to rationalizing the design of new and more efficient catalysts.(AU)