Ab initio and DFT molecular orbital calculations predict that acetyl radical reacts with acetylene through interactions primarily involving the SOMO of the radical and the in-plane π-bond of acetylene. An energy barrier (∆E1) of 39.6 kJ mol‒1 is predicted for the preferred anti arrangement of reactants at the CCSD(T)/cc-pVDZ//BHandHLYP/cc-pVDZ level of theory. NBO analysis reveals additional in...

Under ultra-high-vacuum conditions, precoverage of a palladium(ll1) surface with hydrogen does not affect either the kinetics or the extent of acetylene uptake at 175 K. The subsequent reactive behavior of the system is however radically altered. Benzene formation is strongly suppressed, the transformation of adsorbed acetylene to another species (@-phase) is enhanced, and the yield of ethylene...

The results of a theoretical study on the interaction of o-tetrafluorophenylene mercury with ethylene and acetylene are reported. The AM1 molecular orbital semiempirical method is applied through a complete optimization procedure without any restrictions to find the optimal equilibrium geometries. The comparative capabilities of ethylene and acetylene molecules to form stable complexes with o-t...

The chiral bicyclic lactam (2) derived from levulinic acid and (S)-valinol is sequentially alkylated and then cleaved to 2,2-dialkyl levulinaldehyde (5) which is cyclized to the title products (2) in > 99% ee.

A nondestructive acetylene reduction assay for nitrogenase activity of soybean (Glycine max L. Merr) field plots is presented. Plots consisted of 120 x 150 x 30 centimeter boxes containing 65 plants. The plants were grown in a medium grade sand under controlled nutrient, moisture, and root temperature conditions. Acetylene at a concentration of 10 milliliters per liter was circulated through ma...