Metal-free, redox-neutral, and visible light-triggered coupling of CO₂ with epoxides to cyclic carbonates at atmospheric pressure

Abstract

The metal-free, redox-neutral, photocatalyzed insertion of CO2 into epoxides to give cyclic carbonates under visible light irradiation at atmospheric pressure is demonstrated. In our approach we used 9,10-anthraquinone in conjunction...

Halogen Bonding in the Decoration of Secondary Coordination Sphere of Zinc(II) and Cadmium(II) Complexes: Catalytic Application in Cycloaddition Reaction of CO2 with Epoxides

“…Next, an aliquot of the resulting mixture was taken and analyzed by NMR spectroscopy (Bruker Avance III 400 MHz) with CDCl 3 as a solvent. Thus, the NMR yield is calculated from the integration of the peaks characteristic of the mesitylene, epoxy and carbonate C β –H (methine) at the 1 H NMR spectrum of this crude sample and comparison to published spectra. − It should be noted that the selectivity toward cyclic carbonate formation was >99%, and no other byproducts were detected.…”

Exploring a Substitution Strategy to Ethylene Oxide for CO2 Sequestration and Catalytic Conversion: A Theoretical Study

“…All calculations unless otherwise specified were carried out using the Gaussian 09 suite of programs . DFT calculations of geometries, energies, and vibrational frequencies in this paper were performed with the M06-2X functional , using the 6-311+G­(d,p) basis set for C, H, O, N, F, and K atoms and the SDD effective core potential with an extra f -polarization function ( f = 0.289) for the I atom, the level of which was tested to better describe the free energies of CO 2 cycloaddition to epoxides. − Vibrational frequency calculations were carried out at the same theory level to identify all stationary points as minima (with zero imaginary frequency) or first-order saddle points (with one imaginary frequency). The intrinsic reaction coordinate calculations , were performed to verify that the structures/energies to be used were in fact from the true transition states.…”

Single‐Atom Titanium on Mesoporous Nitrogen, Oxygen‐Doped Carbon for Efficient Photo‐thermal Catalytic CO2 Cycloaddition by a Radical Mechanism

“…In general, photothermal catalysis can be sorted into thermal-assisted photocatalysis, photo-assisted thermocatalysis, and photo-thermal co-catalysis. [10][11][12][13][14] While numerous studies about CO 2 cycloaddition have reported on pure thermo- [15,16] and photocatalysis, [17] only a few have explored the photothermal catalytic processes. [18][19][20] With a unique electronic structure and unsaturated coordination environment, single-atom catalysts usually show high photothermal catalytic performance in CO 2 cycloaddition reactions.…”