4.3 Article Proceedings Paper

Mechanochemically-generated solid state complex of C60-fullerene with tetra-(5,7-diphenyl)calix[4]azulene, NMR, XRD and DFT studies

Journal

SUPRAMOLECULAR CHEMISTRY
Volume 30, Issue 7, Pages 575-582

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/10610278.2017.1415435

Keywords

Azulenes; calixazulenes; DFT; C-60; supramolecular

Funding

  1. Research Development Corporation (RDC) Newfoundland and Labrador
  2. Vale
  3. US National Science Foundation and Department of Energy
  4. Memorial University of Newfoundland
  5. Grants-in-Aid for Scientific Research [16F16346] Funding Source: KAKEN

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The synthesis of tetra-(5,7-diphenyl)calix[4]azulene via the reaction of 5,7-diphenylazulene with formaldehyde is described. Its solid-state supramolecular complexation with C-60 produced by a grinding of the two components was evaluated by solid-state C-13-NMR spectroscopy and X-ray powder diffraction. Gas-phase DFT studies of possible structures are reported. [GRAPHICS] .

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