Thermal [1,3] sigmatropic rearrangements of bicyclic and tricyclic vinylcyclobutanes: a gray zone between the concerted and stepwise extremes

A theoretical study of thermal [1,3]-sig

A theoretical study of thermal [1,3]-sigmatropic rearrangements of 3-trimethylsilyl-1-pyrazoline: Concerted vs. stepwise mechanisms

✍ Chultack Lim; Hee Soon Lee; Young-Woo Kwak; Cheol Ho Choi 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 421 KB

## Abstract Possible reaction mechanisms of 1,3‐silyl and 1,3‐hydrogen thermal rearrangements of trimethylsilyl‐1‐pyrazoline and its model systems were theoretically explored using B3LYP, MP2, CR‐CCSD(T), CASSCF(6,5), and MRMP2(6,5) theories. Nitrogen substitution at the center position of allylic