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Organic Catalysis Structural Analysis
We are a research group of the Department of Industrial Chemistry "Toso Montanari", University of Bologna. We develop asymmetric catalytic methods for the synthesis of chiral molecules, and we determine the structure, conformation and absolute configuration of complex organic compounds by NMR, chiroptical spectroscopy (ECD/VCD) and DFT calculations.
Asymmetric catalysis
Asymmetric organocatalysis is one of the most advanced areas of green organic chemistry. We use small organic molecules as catalysts to obtain enantiomerically pure compounds with high yields and high diastereo- and enantioselectivity.
Blue chemistry: valorisation of marine biomass (polysaccharides)
Marine polysaccharides such as alginates from brown algae are renewable and do not compete with food production. With N. Tanchoux (CNRS Montpellier), we use alginate gels as supports for chiral organocatalysts and as sources of chirality in heterogeneous enantioselective catalysis.
Organic Spectroscopy
We determine the structure and conformation of organic molecules in solution and in the solid state by multidimensional NMR and X-ray diffraction. Absolute configuration is assigned by electronic and vibrational circular dichroism (ECD and VCD) supported by DFT calculations.
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Dynamic NMR
Many organic molecules are fluxional: they interconvert rapidly between conformers or stereoisomers and look like a single average structure. With variable-temperature dynamic NMR we slow these processes down, observe the individual isomers and measure their interconversion barriers.
Computational Chemistry
We use DFT calculations (Gaussian16) to model reaction paths, transition states and conformational processes, and to predict activation energies and NMR and CD spectra. Comparing computed and experimental data speeds up catalyst design and supports the assignment of absolute configuration.
