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Dr. Luca Rocchigiani, Dr. Gianluca Ciancaleoni, Dr. Cristiano Zuccaccia and Prof. Dr. Alceo Macchioni An Integrated NMR and DFT Study on the Single Insertion of α-Olefins into the M[BOND]C Bond of Group 4 Metallaaziridinium Ion Pairs ChemCatChem 5

Article first published online: 23 SEP 2012 | DOI: 10.1002/cctc.201200341

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A pair of Group 4s: Group 4 metallaaziridinium ion pairs stoichiometrically react with α-olefins, such as 1-hexene and 2-methyl-1-heptene, to form stable five-membered heterocycles. An integrated NMR and DFT study indicates that the diastereoisomeric ratios of the products are dictated by thermodynamics and depend strongly on the olefin, but only marginally on the metal.

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