Product formation in the Prato reaction on Sc3N@D5h-C80: preference for [5,6]-bonds, and not pyracylenic bonds†
Abstract
We report here reaction energies and
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* Corresponding authors
a Dept. of Chemistry and Biochemistry, UCLA, Los Angeles, USA
b Dept. Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel·lí Domingo s/n, 43007 Tarragona, Spain
c
Institut de Química Computacional and Dept. de Química, Universitat de Girona, Campus Montilivi, 17071 Girona, Spain
E-mail:
miquel.sola@udg.edu, marcel.swart@udg.edu
d ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain
We report here reaction energies and
S. Osuna, A. Rodríguez-Fortea, J. M. Poblet, M. Solà and M. Swart, Chem. Commun., 2012, 48, 2486 DOI: 10.1039/C2CC17210K
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