Journal
CHEMICAL PHYSICS LETTERS
Volume 591, Issue -, Pages 323-327Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2013.11.056
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Funding
- PEDECIBA Quimica
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Herein, we studied the interaction between the fullerenes C-60 and C-70 with pentaindenocorannulene (P), chrysaorole (C) and two new buckycatchers. The P and C bowls interact with the fullerenes with an interaction-energy (IE) that is twice the value determined for corannulene. The new receptors designed include a cyclooctatetraene core which has two P or C pincers attached. Notwithstanding the fact that the proposed hosts prefer stacked conformations at equilibrium, the IE determined are extremely large and close to the ones computed for the dimeric metalloporphyrins. It is our hope that this work stimulates the synthesis of these receptors. (C) 2013 Elsevier B. V. All rights reserved.
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