Cyclopropylcyclopropylidenemethyl Cation: A Unique Stabilized Vinyl Cation Characterized by NMR Spectroscopy and Quantum Chemical ab Initio Calculations

Study of structures, energetics, IR spec

Study of structures, energetics, IR spectra and 13C and 1H NMR chemical shifts of the conformations of isopropyl cation by ab initio calculations

✍ Golam Rasul; Jonathan L. Chen; G.K. Surya Prakash; George A. Olah 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 896 KB

The C 2 conformation 3 was established to be the preferred conformation of the isopropyl cation. The calculated 13 C NMR chemical shifts of C 2 conformation 3 also agree very well with the experimental data. However, this is, in contrast with the recent claims by Fa ˘rcas ßiu and coworkers, who foun