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

Schneider, Celine; Nishimura, Hidetaka; Lee, Jaehyun; Scott, Lawrence T.; Wakamiya, Atsushi; Forbes, Roy; Georghiou, Paris E.

doi:10.6084/m9.figshare.5709580.v1

gsch_a_1415435_sm6445.docx (1.06 MB)

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

journal contribution

posted on 2017-12-16, 06:57 authored by Celine Schneider, Hidetaka Nishimura, Jaehyun Lee, Lawrence T. Scott, Atsushi Wakamiya, Roy Forbes, Paris E. Georghiou

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 C₆₀ produced by a grinding of the two components was evaluated by solid-state ¹³C-NMR spectroscopy and X-ray powder diffraction. Gas-phase DFT studies of possible structures are reported.