Fe(0)-Catalyzed Alkyne Carboxylation with CO 2 Involving Spin Crossover

Key Points

• The research aims to investigate Fe(0)-catalyzed alkyne carboxylation using CO2 and analyze the spin crossover mechanics involved.
• Utilized Fe(0)-phenanthroline complexes in the reaction process.
• Conducted density functional theory (DFT) calculations to explore reaction pathways.
• Focused on the transition between triplet and quintet spin states.
• Successfully achieved alkyne carboxylation using CO2.
• DFT calculations indicate a spin crossover from triplet to quintet state during the reaction.

Abstract