2 research outputs found
A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies
A bifunctional
photoaminocatalyst based on imidazolidinone and
thioxanthone is presented. The preparation of these catalysts proceeds
in a two-step synthesis that allows an easy tuning of the steric properties.
The photophysical and electrochemical data of the imidazolidinone
photocatalysts have been determined, indicating that the catalysts
can work under visible light conditions. To corroborate the experimental
observations, ground state geometry optimization and energy transition
studies of thioxanthone and bifunctional catalyst <b>4c</b> were
optimized by time-dependent density functional theory (TD DFT) calculations.
The alkylation of aldehydes with this photoaminocatalyst works with
high enantioselectivities and yields due to the stereoelectronic properties
of the catalyst. A rational mechanistic cycle based on different mechanistic
experiments, TD DFT calculations, and laser flash photolysis is presented
A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies
A bifunctional
photoaminocatalyst based on imidazolidinone and
thioxanthone is presented. The preparation of these catalysts proceeds
in a two-step synthesis that allows an easy tuning of the steric properties.
The photophysical and electrochemical data of the imidazolidinone
photocatalysts have been determined, indicating that the catalysts
can work under visible light conditions. To corroborate the experimental
observations, ground state geometry optimization and energy transition
studies of thioxanthone and bifunctional catalyst <b>4c</b> were
optimized by time-dependent density functional theory (TD DFT) calculations.
The alkylation of aldehydes with this photoaminocatalyst works with
high enantioselectivities and yields due to the stereoelectronic properties
of the catalyst. A rational mechanistic cycle based on different mechanistic
experiments, TD DFT calculations, and laser flash photolysis is presented