Today a new paper was published in Chem. Comm. on the formation of products in Prato reactions, and how NMR parameters and reaction energies as computed by DFT are consistent.
S. Osuna, A. Rodríguez-Fortea, J.M. Poblet, M. Solà, and M. Swart
“Product formation in the Prato reaction on Sc3N@D5h-C80: preference for [5,6]-bonds, and not pyracylenic bonds”
Chem. Commun. 2012, 48, 2486-
DOI: 10.1039/c2cc17210k
It was a collaboration of Sílvia Osuna, Miquel Solà and Marcel Swart with Prof. Poblet, and featured on the Cover of the journal!
