For the first time, the two factors (the number of sites in the transition state and the nature of the catalytically active species) that affect the energy barriers ( E _a and Δ G ^‡ ) in atmospheric aldehyde reactions are proposed.

In situ formation of 2-methylimidazole as a result of 2,4,6-trimethyl-1,3,5-hexahydrotriazine trihydrate and glyoxal interaction in an aqueous solution is studied for the first time using NMR spectroscopy. In addition to the reactants and products, the reaction mixture is shown to contain stable intermediate products of the trimer decomposition as well as glycolic acid.

This work presents the synthesis of a new compound, 1-[aryl-(diphenylphosphono)methyl]-3,4,6-trimethylglycolurils, via the interaction of benzaldehyde and its mononitro- and monohydroxyderivatives with 1,3,4-trimethylglycoluril and triphenylphosphite. By varying the reaction conditions and the catalysts, the obtained product yields ranged from satisfactory to good. The diastereomers formed during the reaction were separated by semipreparative HPLC on the C18 stationary phase. The isolated diastereomers were characterized by ¹H, ¹³C, and ³¹P NMR, and the structures of the diastereomers were confirmed using a single-crystal X-ray crystal structure analysis and quantum chemical calculations.

Based on experimental results and DFT-based approaches, the mechanism of cascade conversion of dihydroxyacetone into lactic acid in aqueous solution over heterogeneous catalysts based on M-UiO-66 (M = Zr, Sn,...

A detailed mechanism for allantoin formation is proposed for the first time and studied using quantum-chemical calculations and NMR spectroscopy.