Feature of the Endohedral Metallofullerene Y@C₈₂ and Gd@C₈₂ Polymerization under High Pressure

Abstract

In the present work, the polymerization of endohedral metallofullerenes (EMFs) with gadolinium (Gd@C 82 ) and yttrium atoms (Y@C 82 ) at high pressures achieved using the shear diamond anvil cell technique is studied using both theoretical and experimental approaches. It is found that in contrast to pure fullerenes, EMF polymerization starts at lower pressures with similar behavior for both metals inside the fullerene cage. EMF polymerization occurs smoothly and finally leads to a significant increase in the number of interfullerene bonds at pressures higher than ∼20 GPa. Finally, a high bulk modulus of both EMFpolymerized materials is obtained using Raman spectra.

Gd-doped diamond synthesized using Gd@C82 under high pressure and high temperature

“…The spectral peak at 1535 cm −1 (0.43 GPa) is attributed to the CvC stretching vibration, and the Raman peak blue-shifts under high pressure due to the enhanced interatomic interactions. [29][30][31][32] Only the radial vibration of the carbon cage at 790 cm −1 (Fig. S3 †) redshifts due to the enhanced interaction between the carbon cages.…”

Regulating the electronic and spin structure of endohedral metallofullerenes: a case investigation of Sc3N@C80 and Sc3C2@C80

“…Recently, exohedral modification of the fullerene cage has been a powerful approach to regulate the electronic structure and control the molecular dynamics of the internal species in EMFs, [22][23][24][25] such as that via a cycloaddition reaction, 26 Bingel-Hirsh reaction, 27 Diels-Alder reaction, 28 polymerization reaction, 29 free radical addition reaction, 30 etc. Among these, the Prato reaction is one of the most effective ways to control the chemical functionalization of fullerenes by reacting with azomethine ylides produced by amino acids and aldehydes, 31 and plays a vital role when used in its application for molecular devices, 32 solar cells, 33 biomedicines, 34 and so on.…”