Controlling the confinement and alignment of fullerene C70 in para-substituted calix[5]arenes

Mohamed Makha, Joshua J. McKinnon, Alexandre N. Sobolev, Mark A. Spackman, Colin L. Raston

Research output: Contribution to journalArticlepeer-review

26 Citations (Scopus)


In toluene fullerene C70 forms 2:1 complexes with p-benzylcalix[5]arene (1) and p-phenylcalix[5]arene (2), [C70c1 2]·6(C7H8) and [C70⊂ 22]·7(C7H8). The fullerene molecules are completely shrouded by two calix[5]arenes in addition to terminal benzyl groups from other supermolecules, [C70⊂12], and solvent. Within the capsule-like supermolecules the calixarenes have distinctly different arrangements relative to the principal axis of the fullerene: for [C 70⊂12]·6(C7H8) the oxygen planes of the two calixarenes are skewed by 37.0 and 47.5°, whereas in [C70⊂22]·7(C7H8) the principal axes of the fullerene and the two encapsulating calixarenes are more closely aligned with the corresponding angles at 9.7 and 8.6°, and features a pentaphenyl inter-calixarene embrace. The Hirshfeld surfaces of these two complexes have been investigated for a detailed understanding of the orientation and nature of interactions of C70 with the cavitand-type molecules and toluene.

Original languageEnglish
Pages (from-to)3907-3912
Number of pages6
JournalChemistry - A European Journal
Issue number14
Publication statusPublished - 7 May 2007
Externally publishedYes


  • Calixarenes
  • Fullerenes
  • Hirshfeld surfaces
  • Self-assembly
  • Supramolecular chemistry


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