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Mechanochemical formation of a 1:1 C60: tert-butylcalix[4]azulene supramolecular complex: solid-state NMR and DFT computational studies |
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| Authors: | Paris E. Georghiou Celine Schneider Grigory Shamov Timothy D. Lash Shofiur Rahman D. Sabrina Giddings |
| Affiliation: | 1. Department of Chemistry, Memorial University of Newfoundland, Newfoundland and Labrador, Canadaparisg@mun.ca;3. C-CART NMR Laboratory, Memorial University of Newfoundland, Newfoundland, Canada;4. Westgrid/ComputeCanada, University of Manitoba, Winnipeg, Canada;5. Department of Chemistry, Illinois State University, Normal, IL, USA;6. Department of Chemistry, Memorial University of Newfoundland, Newfoundland and Labrador, Canada |
| Abstract: | AbstractSolid-state NMR data are presented to clearly support the formation of a 1:1 supramolecular complex between C60 and the tetra-tert-butylated analogue of calix[4]azulene by a simple mechanochemical hand-grinding of host and guest in a mortar and pestle. The experimental results are supported by a DFT study. |
| Keywords: | Solid-state NMR DFT Host–guest supramolecular mechanochemistry C60 calixazulenes |