Russian-Doll-Type Metal Carbide Endofullerene: Synthesis, Isolation, and Characterization of Sc₄C₂@C₈₀

Abstract

For the first time, we have produced the stable compound Sc(4)C(2)@C(80)-I(h) and characterized it as a metal carbide endofullerene by FTIR and Raman spectroscopies in combination with DFT calculations. Furthermore, DFT calculations have demonstrated that this molecule has a Russian-doll-type structure, C(2)@Sc(4)@C(80).

Endohedral Regulator for Metallofullerene Chemical Property: Diels–Alder Reaction Studies of ScxY3‐xN@C80‐Ih (x=0‐3)

“…The Sc x Y 3‐ x N@C 80 ‐ I h ( x =0‐3) samples were synthesized by the Krätschmer‐Huffman arc‐discharging method and isolated by the multistage high‐performance liquid chromatography (HPLC) strategy as reported previously . For Diels–Alder reaction, o ‐quinodimethane was generated in the presence of Sc x Y 3‐ x N@C 80 ‐ I h ( x =0‐3) by thermolysis of sultine at 80 °C in toluene.…”

Crystallographic characterization of Y2C2n (2n = 82, 88–94): direct Y–Y bonding and cage-dependent cluster evolution

“…[4][5][6] Traditional EMFs are those encapsulating one or two metal atoms, which transfer a certain number of electrons to the cage. 7,8 When multiple metal ions are introduced into the cages, a non-metal element is generally required to stabilize the whole cluster to form species such as a metal carbide, [9][10][11] nitride, 12,13 sulphide, 14 oxide [15][16][17] and even cyanide. 18,19 In principle, the positively charged metal ions suffer from strong Coulomb repulsion inside fullerene cages.…”

Synthesis and Isolation of the Titanium–Scandium Endohedral Fullerenes—Sc2TiC@Ih‐C80, Sc2TiC@D5h‐C80 and Sc2TiC2@Ih‐C80: Metal Size Tuning of the TiIV/TiIII Redox Potentials

“…[1] The vast majority of endohedral clusterfullerenes is based on Group III metals,i ncluding Sc,Y ,a nd lanthanides. In particular,S cp rovides the largest varietyo fc lusterfullerenes, such as nitrides (Sc 3 N@C 2 n (2n = 68, 70, 78-82) [2] ), carbidesw ith one or two interior carbon atoms (Sc 4 C@C 2 n (2n = 80, 82), [3] Sc 2 C 2 @C 2 n (2n = 72-88), [4] Sc 3 C 2 @C 80 , [5] Sc 4 C 2 @C 80 [6] ), carbohydrides (Sc 3 CH@C 80 , [7] Sc 4 C 2 H@C 80 [8] ), oxides( Sc 2 O@C 2 n (2n = 70-82), [9] Sc 4 O 2 @C 80 , [10] Sc 4 O 3 @C 80 [11] ), sulfides (Sc 2 S@C 2 n (2n = 70-82) [12] ), cyanide (Sc 3 CN@C 2 n (2n = 78, 80) [13] ), and even mixed carbidocyanide (Sc 3 C 2 CN@C 80 ). [14] Fullerenes are electro-active and form as pecial type of noninnocent p ligand for the metals inside.…”