Quantum-chemical modeling of the mechanism interaction between propargyl chloride and potassium 1,3-propanedithiolate in hydrazine hydrate–KOH system was carried out using combined approach CCSD(T)/6-31+G*//B3LYP/6-311++G**. The elementary stages reaction, possible intermediates transition states are established

Heterogeneous Catalysis In their Communication on page 24002, Jeroen A. van Bokhoven et al. investigate the mechanism of methane conversion under non-oxidative conditions over iron-modified silica and unveil role propargyl radicals.

Presented herein is a mild, facile, and efficient iron-catalyzed synthesis of substituted allenes from propargyl carboxylates and Grignard reagents. Only 1-5 mol % of the inexpensive and environmentally benign [Fe(acac)3 ] at -20 °C was sufficient to afford a broad range of substituted allenes in excellent yields. The method tolerates a variety of functional groups.