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Unusual C2h -Symmetric trans-1-(Bis-pyrrolidine)-tetra-malonate Hexa-Adducts of C60 : The Unexpected Regio- and Stereocontrol Mediated by Malonate-Pyrrolidine Interaction.

Edison CastroKhalid AzmaniAndrea Hernandez GarciaAmineh AghabaliShuming LiuAlejandro J Metta-MaganaMarilyn M OlmsteadAntonio Rodríguez-ForteaJosep M PobletLuis A Echegoyen
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2017)
A totally unanticipated regio- and stereoisomerically pure C2h -symmetric trans-1-(bis-pyrrolidine)-tetra-malonate hexa-adduct of C60 was obtained via a topologically controlled method, followed by a 1,3-dipolar cycloaddition reaction. The structures of the products were elucidated by 1 H and 13 C NMR and by X-ray crystallography. The unexpected regio- and stereoselectivity observed, supported by theoretical calculations, was found to be a consequence of malonate-pyrrolidine interactions.
Keyphrases
  • high resolution
  • ionic liquid
  • magnetic resonance
  • molecular dynamics
  • molecular dynamics simulations
  • magnetic resonance imaging
  • mass spectrometry
  • computed tomography
  • contrast enhanced