Abstract
Semiempirical and density functional calculations have been carried out to discuss the origin of the closed [5,6]-aza-bridged adduct obtained as a minor product in the reaction of singlet nitrenes with C60. The results indicated that the most likely source is the direct addition of singlet nitrenes to a [5,6]-bond of C60, in contradiction to the common belief that the [5,6]-bonds are not attacked in cycloaddition reactions to C60.
Similar content being viewed by others
Author information
Authors and Affiliations
Electronic Supplementary Material
Rights and permissions
About this article
Cite this article
Cases, M., Duran, M. & Solà, M. The [2+1] Cycloaddition of Singlet Oxycarbonylnitrenes to C60 . J Mol Model 6, 205–212 (2000). https://doi.org/10.1007/s0089400060205
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s0089400060205