期刊
CHEMICAL PHYSICS LETTERS
卷 591, 期 -, 页码 323-327出版社
ELSEVIER
DOI: 10.1016/j.cplett.2013.11.056
关键词
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资金
- PEDECIBA Quimica
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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