Incorporation reactions play an important role in dictating immobilization and release pathways for chemical species in low-temperature geologic environments. Quantum-mechanical investigations of incorporation seek to characterize the stability and geometry of incorporated structures, as well as the thermodynamics and kinetics of the reactions themselves. For a thermodynamic treatment of incorp...

A catalyst system comprised of a Co(III)(salen) complex and a Lewis base is investigated for the reaction of CO2 and a variety of epoxides to form cyclic carbonates. Application of this catalyst system in the kinetic resolution of propylene oxide is also discussed.

Microwave-assisted quaternization of glycine (GLY) resulted in the synthesis of an efficient catalyst, quaternized glycine (QGLY), for the solventless synthesis of cyclic carbonates from epoxides and CO2 under mild reaction conditions. Density functional theory was used to simulate the synergistic influence of the COOH group and the halide ion of QGLY in enhancing the catalytic activity.

An efficient Pd-catalyzed cross-coupling/cycloisomerization of 3-(2-pyridyl) propargyl carbonates with organoboronic acids has been developed, which provides a straightforward route for the synthesis of 1,3-disubstituted indolizines with a wide variety of substituents. The mechanistic study indicates that the reaction proceeds via formation of an allenyl pyridine intermediate through palladium-...