Formation and Structures of Transition Metal−C₆₀ Clusters

Abstract

Transition metal (Sc, Ti, V, and Cr)-C 60 binary clusters were produced in the gas phase by a two-laser vaporization method. In the mass spectra of cationic M n (C 60 ) m + , for M ) Sc, Ti, and V, clusters having the composition of (n, m) ) (1, 1) + , (1, 2) + , (2, 3) + , (3, 4) + , (4, 4) + , and (5, 5) + were predominantly produced. The peaks having (n, n + 1) + compositions are explicable in terms of multiple dumbbell structures, in which metal atoms and C 60 are alternately stacked. Clusters with composition (4, 4) + and (5, 5) + are presumed to be ring structures. For Cr n (C 60 ) m + , however, a Cr atom is surrounded by three C 60 , forming a tricapped structure, and the structure acts as a unit for larger stable clusters of (2, 4) + , (3, 4) + , and (4, 4) + . Ionization energy measurements for neutral M n (C 60 ) m and a chemical probe method using CO, O 2 , and C 2 H 4 as reactants gave information concerning the geometrical and electronic structures.

First-Principles Study of AuC60 Clusters

“…Because of the important nature of carbon-metal interaction, metallofullerenes attract much interest in recent years. [2][3][4][5][6][7][8][9][10][11][12][13][14] In fact, the interaction of metal atoms with C 60 surface is considered as a complex phenomenon depending not only on the nature of the metals themselves, but also on the coupling effect with carbon cages. A number of studies about M n (C 60 m (M is metal atom) clusters have been carried out by several groups.…”

Polymeric Co-C<SUB>60</SUB> Compound Phase Evolved in Atomistically Mixed Thin Films

“…Our results for the polymeric C 60 -based phase are reasonably consistent with the recent finding of the atomic clusters of transition metals and C 60 synthesized under the gas phase, where are proposed the Polymeric Co-C 60 Compound Phase Evolved in Atomistically Mixed Thin Filmsstructures developed from the dimeric C 60 molecules bonded by a metal atom. [17][18][19] It can be believed that the polymeric C 60 -based phase is formed as a non-equilibrium state due to the atomistic mixing achieved by the co-deposition at room temperature. The W-parameter-change deviating from the mirror-like behavior beyond the saturating composition of the C 60 -based phase implies that positrons annihilate partly with electrons of Co atoms composing of the Co clusters or nano-particles in the region of x > 5.…”

Electronic and magnetic properties of endohedrally doped fullerene Mn@C60: A total energy study

“…Encapsulating atoms or molecules [1][2][3] inside a C 60 has attracted attention for its scientific interest and practical applications. In the past several years, some work has been done on doping C 60 and C 82 using alkali, transition, and rareearth metals [4][5][6][7][8][9][10][11][12] because of their valence level structures, such as ns, ͑n −1͒d, and ͑n −2͒f, which may exhibit different spin configurations.…”