Degenerate Lithium−Hydrogen Exchange Reactions: An Alternative Mechanism for Metalation of CH 4 in Gas Phase and Tetrahydrofuran Solution

Degenerate lithium-hydrogen exchange rea

Degenerate lithium-hydrogen exchange reactions: Ab initio models for metallation mechanisms involving H2, CH4, NH3, H2O, and HF

✍ Elmar Kaufmann; Paul Von Ragué Schleyer 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 985 KB

Hydrogen exchange reactions between lithium and sodium compounds, MX (M = Li: X = H, CH3, NH2, OH, F; M = Na: X = CH3), and the corresponding hydrides, HX, have been modelled by means of ab initio calculations including electron correlation and zero point energy (ZPE) corrections. Small or no activa