Selective solvent interaction in a fluorous reaction system

Article Abstract:

The interactions of solvent components with the protons and fluorines of 3-heptafluorobutyrylcamphor in both phases of bisphasic system at 25 degree Celsius as well as the single phase at 54 degree-Celsius is investigated by using the intermolecular nuclear Overhauser effect. The results indicate that at 25 degree-Celsius in the perfluorocarbon-rich phase, both solvent components interact with the solute selectively.

Spectra, Chemical synthesis, Perfluorocarbons, Molecular spectroscopy, Chemical properties

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Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction

Article Abstract:

The role of the base in the transmetalation step of the Suzuki-Miyaura cross-coupling reaction is analyzed computationally by means of DFT calculations with the Becke3LYP functional. These calculations suggest that the main mechanism of transmetalation in the catalytic cycle starts with the reaction of the base and the organoboronic acid.

Density functionals, Density functional theory, Halides, Organic acids

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